CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: 3-methoxy-4-hydroxybenzaldehyde, 4-hydroxy-m-anisaldehyde, lioxin, vanilline, 2-methoxy-4-formylphenol, p-vanillin, vanilla, vanillic aldehyde, vanillaldehyde, vanillin PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 1878-81-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00014363 InChI Key: KMXZEXUYXUMHEQ-UHFFFAOYSA-N PubChem CID: 74655 IUPAC Name: 2-(4-acetylphenoxy)acetic acid SMILES: CC(=O)C1=CC=C(OCC(O)=O)C=C1

CAS: 75-07-0 Molecular Formula: C₂H₄O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: aldehyde acetique, octowy aldehyd, aldeide acetica, acetic ethanol, aldehyde, acetylaldehyde, acetaldehyd, ethyl aldehyde, acetic aldehyde, ethanal PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O

CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: methanol, acetylmethyl, 1-hydroxyethyl methyl ketone, 2-hydroxy-3-butanone, 2,3-butanolone, acetylmethylcarbinol, 2-butanone, 3-hydroxy, dimethylketol, acetyl methyl carbinol, 3-hydroxy-2-butanone, acetoin PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O

CAS: 70-11-1 Molecular Formula: C₈H₇BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: acetophenone, 2-bromo, omega-bromoacetophenone, stauffer 4644, alpha-bromoacetophenone, bromomethyl phenyl ketone, ethanone, 2-bromo-1-phenyl, bromoacetophenone, 2-bromo-1-phenylethan-1-one, phenacyl bromide, 2-bromoacetophenone PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr

CAS: 66-25-1 Molecular Formula: C₆H₁₂O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00007027 InChI Key: JARKCYVAAOWBJS-UHFFFAOYSA-N Synonym: aldehyde c-6, hexylaldehyde, n-caproaldehyde, hexanaldehyde, n-hexanal, 1-hexanal, capronaldehyde, caproic aldehyde, hexaldehyde, caproaldehyde PubChem CID: 6184 IUPAC Name: hexanal SMILES: CCCCCC=O

CAS: 105-53-3 Molecular Formula: C₇H₁₂O₄ Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: ethyl malonate van, ethyl propanedioate, 1,3-diethyl propanedioate, malonic acid diethyl ester, carbethoxyacetic ester, malonic acid, diethyl ester, dicarbethoxymethane, propanedioic acid, diethyl ester, malonic ester, diethyl malonate PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethylhydrogenmalonate, 3-ethoxy-3-oxo-propanoic acid, 2-ethoxycarbonyl acetic acid, ethoxycarbonyl acetic acid, malonic acid monoethyl ester, monoethyl hydrogen malonate, mono-ethyl malonate, monoethyl malonic acid, monoethyl malonate, ethyl hydrogen malonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 4949-44-4 Molecular Formula: C₇H₁₂O₃ Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethylpropanylacetate, propionylacetic acid ethyl ester, 3-oxovaleric acid ethyl ester, ethyl 3-ketopentanoate, 3-oxo-pentanoic acid ethyl ester, 3-oxopentanoic acid ethyl ester, pentanoic acid, 3-oxo-, ethyl ester, ethyl 3-oxo-n-valerate, ethyl 3-oxovalerate, ethyl propionylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate, stab. with potassium carbonate, tert-butyl 2-tert-butoxycarbonyl acetate, di tert-butyl malonate, 1,3-di-tert-butyl propanedioate, unii-7e9xwt9380, di-t-butyl malonate, di-t-butylmalonate, propanedioic acid, bis 1,1-dimethylethyl ester, malonic acid di-tert-butyl ester, di-tert-butyl malonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C

CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: propanal, phenyl, 3-phenylpropyl aldehyde, 3-phenylpropylaldehyde, 3-phenyl-1-propanal, benzylacetaldehyde, dihydrocinnamaldehyde, hydrocinnamic aldehyde, hydrocinnamaldehyde, 3-phenylpropionaldehyde, benzenepropanal PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O

CAS: 107-22-2 Molecular Formula: C2H2O2 Molecular Weight (g/mol): 58.036 MDL Number: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Synonym: aerotex glyoxal 40, diformyl, diformal, biformyl, biformal, glyoxylaldehyde, 1,2-ethanedione, oxalaldehyde, ethanedial, glyoxal PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O

CAS: 175276-49-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00203864 InChI Key: NEDLMVCFWFSFNJ-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylicacid,4-formyl-1,2,5-trimethyl-,methyl ester, 1h-pyrrole-3-carboxylicacid, 4-formyl-1,2,5-trimethyl-, methyl ester, methyl 4-formyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylate PubChem CID: 2776538 IUPAC Name: methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate SMILES: CC1=C(C(=C(N1C)C)C(=O)OC)C=O

CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethylhexyne-2,5-diol, unii-22rr53u71w, tetramethyl-2-butynediol, olfine y, 3-hexyne-2,5-diol, 2,5-dimethyl, acetylenepinacol, tetramethylbutynediol, kemitracin-50, dimethylhexynediol, 2,5-dimethyl-3-hexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

CAS: 121-71-1 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3-acetophenol, 3-hydroxy acetophenone, m-acetylphenol, ethanone, 1-3-hydroxyphenyl, 1-3-hydroxyphenyl ethan-1-one, 3-acetylphenol, m-hydroxyacetophenone, 1-3-hydroxyphenyl ethanone, 3-hydroxyacetophenone, 3'-hydroxyacetophenone PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 1,2-bis 4-methoxyphenyl-1,2-ethanedione, 1,2-ethanedione, 1,2-bis 4-methoxyphenyl, p,p'-dimethoxybenzil, di-p-anisoyl, ethanedione, bis 4-methoxyphenyl, bis 4-methoxyphenyl ethanedione, 1,2-bis 4-methoxyphenyl ethane-1,2-dione, p-anisil, anisil, 4,4'-dimethoxybenzil PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 101066-61-9 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.55 MDL Number: MFCD06651557 InChI Key: UFPOSTQMFOYHJI-UHFFFAOYSA-N Synonym: 2-chloropyridin-4-carbaldehyde, ksc180g9n, 6-chloroisonicotinaldehyde, pubchem5099, 4-pyridinecarboxaldehyde, 2-chloro, 2-chloropyridine-4-carboxaldehyde, 2-chloro-pyridine-4-carbaldehyde, 2-chloro-4-formylpyridine, 2-chloro-4-pyridinecarboxaldehyde, 2-chloroisonicotinaldehyde PubChem CID: 2762994 IUPAC Name: 2-chloropyridine-4-carbaldehyde SMILES: ClC1=CC(C=O)=CC=N1

CAS: 5398-11-8 MDL Number: MFCD00023099

CAS: 14284-92-5 Molecular Formula: C15H24O6Rh Molecular Weight (g/mol): 403.26 MDL Number: MFCD00083144,MFCD00083144 InChI Key: MBVAQOHBPXKYMF-UHFFFAOYSA-N Synonym: rhodium iii acetylacetonate-rh PubChem CID: 131675882 SMILES: [Rh].CC(O)=CC(C)=O.CC(O)=CC(C)=O.CC(O)=CC(C)=O

CAS: 98700-50-6 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: IIEFFVFWBUGUTI-UHFFFAOYSA-N Synonym: 1h-pyrazole-4-carboxaldehyde,5-methyl-1-phenyl, 1h-pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl, acmc-20am2d, 5-methyl-1-phenyl-1h-pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde PubChem CID: 2776437 IUPAC Name: 5-methyl-1-phenylpyrazole-4-carbaldehyde SMILES: CC1=C(C=NN1C2=CC=CC=C2)C=O

CAS: 676500-39-3 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD08235194 InChI Key: KTGPDDPEVRJSFY-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3-difluoro-4-hydroxy-9ci, 2,3-bis fluoranyl-4-oxidanyl-benzaldehyde, benzaldehyde,2,3-difluoro-4-hydroxy, pubchem10121, benzaldehyde, 2,3-difluoro-4-hydroxy, 2,3-difluoro-4-hydroxy-benzaldehyde PubChem CID: 23107063 IUPAC Name: 2,3-difluoro-4-hydroxybenzaldehyde SMILES: OC1=C(F)C(F)=C(C=O)C=C1

CAS: 123-38-6 Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: aldehyde propionique, propylic aldehyde, propylaldehyde, methylacetaldehyde, n-propanal, propionic aldehyde, propional, propaldehyde, propanaldehyde, propionaldehyde PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O

CAS: 4363-93-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00006781 InChI Key: MGCGJBXTNWUHQE-UHFFFAOYSA-N Synonym: 4quinolinecarboxaldehyde, quinoline-4-aldehyde, chinolin-4-aldehyd, unii-3a0k4yx051, 4-formylquinoline, quinoline-4-carboxaldehyde, cinchoninaldehyde, 4-quinolinecarbaldehyde, 4-quinolinecarboxaldehyde PubChem CID: 78072 IUPAC Name: quinoline-4-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=NC=C1