Carbonyl compounds
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Ethyl Benzoylacetate 95.0+%, TCI America™
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CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
cis-4-Heptenal 95.0+%, TCI America™
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CAS: 6728-31-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00014682 InChI Key: VVGOCOMZRGWHPI-ARJAWSKDSA-N Synonym: cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal PubChem CID: 5362814 IUPAC Name: (Z)-hept-4-enal SMILES: CCC=CCCC=O
| PubChem CID | 5362814 |
|---|---|
| CAS | 6728-31-0 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00014682 |
| SMILES | CCC=CCCC=O |
| Synonym | cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal |
| IUPAC Name | (Z)-hept-4-enal |
| InChI Key | VVGOCOMZRGWHPI-ARJAWSKDSA-N |
| Molecular Formula | C7H12O |
2-Methylanthraquinone 99.0+%, TCI America™
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2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
4'-[(tert-Butyldimethylsilyloxy)methyl]-2,2,2-trifluoroacetophenone 97.0+%, TCI America™
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CAS: 87736-75-2 Molecular Formula: C15H21F3O2Si Molecular Weight (g/mol): 318.41 MDL Number: MFCD29089349 InChI Key: PNTKHPCHUVZRCB-UHFFFAOYSA-N Synonym: [(4-(Trifluoroacetyl)benzyl)oxy](tert-butyl)dimethylsilane PubChem CID: 13063196 IUPAC Name: 1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one SMILES: CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 13063196 |
|---|---|
| CAS | 87736-75-2 |
| Molecular Weight (g/mol) | 318.41 |
| MDL Number | MFCD29089349 |
| SMILES | CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | [(4-(Trifluoroacetyl)benzyl)oxy](tert-butyl)dimethylsilane |
| IUPAC Name | 1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one |
| InChI Key | PNTKHPCHUVZRCB-UHFFFAOYSA-N |
| Molecular Formula | C15H21F3O2Si |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
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CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2,6-Dimethoxybenzaldehyde 97.0+%, TCI America™
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CAS: 3392-97-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00010862 InChI Key: WXSGQHKHUYTJNB-UHFFFAOYSA-N Synonym: benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 PubChem CID: 96404 IUPAC Name: 2,6-dimethoxybenzaldehyde SMILES: COC1=CC=CC(OC)=C1C=O
| PubChem CID | 96404 |
|---|---|
| CAS | 3392-97-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00010862 |
| SMILES | COC1=CC=CC(OC)=C1C=O |
| Synonym | benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 |
| IUPAC Name | 2,6-dimethoxybenzaldehyde |
| InChI Key | WXSGQHKHUYTJNB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3'-Acetamidoacetophenone 98.0+%, TCI America™
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CAS: 7463-31-2 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00032278 InChI Key: AFZTYHRVDOKRKV-UHFFFAOYSA-N Synonym: 3'-acetamidoacetophenone,n-3-acetylphenyl acetamide,3'-n-acetylamino acetophenone,3'-acetylacetanilide,3-acetamidoacetophenone,3-acetamido acetophenone,m-acetylaminoacetophenone,3-acetylacetanilide,acetamide, n-3-acetylphenyl PubChem CID: 346202 IUPAC Name: N-(3-acetylphenyl)acetamide SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C
| PubChem CID | 346202 |
|---|---|
| CAS | 7463-31-2 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00032278 |
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)C |
| Synonym | 3'-acetamidoacetophenone,n-3-acetylphenyl acetamide,3'-n-acetylamino acetophenone,3'-acetylacetanilide,3-acetamidoacetophenone,3-acetamido acetophenone,m-acetylaminoacetophenone,3-acetylacetanilide,acetamide, n-3-acetylphenyl |
| IUPAC Name | N-(3-acetylphenyl)acetamide |
| InChI Key | AFZTYHRVDOKRKV-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
3-(4-Methoxybenzoyl)propionic Acid 98.0+%, TCI America™
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CAS: 3153-44-4 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00002795 InChI Key: OMTDIBZSUZNVJK-UHFFFAOYSA-N Synonym: 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u PubChem CID: 76613 IUPAC Name: 4-(4-methoxyphenyl)-4-oxobutanoic acid SMILES: COC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 76613 |
|---|---|
| CAS | 3153-44-4 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00002795 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u |
| IUPAC Name | 4-(4-methoxyphenyl)-4-oxobutanoic acid |
| InChI Key | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
4'-Fluoro-2'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 1481-27-2 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143203 InChI Key: HLTBTUXAMVOKIH-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy PubChem CID: 2737326 IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 2737326 |
|---|---|
| CAS | 1481-27-2 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00143203 |
| SMILES | CC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy |
| IUPAC Name | 1-(4-fluoro-2-hydroxyphenyl)ethan-1-one |
| InChI Key | HLTBTUXAMVOKIH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
n-Octanophenone 98.0+%, TCI America™
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CAS: 1674-37-9 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.31 MDL Number: MFCD00003554 InChI Key: UDEVCZRUNOLVLU-UHFFFAOYSA-N Synonym: octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq PubChem CID: 74291 IUPAC Name: 1-phenyloctan-1-one SMILES: CCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74291 |
|---|---|
| CAS | 1674-37-9 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00003554 |
| SMILES | CCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq |
| IUPAC Name | 1-phenyloctan-1-one |
| InChI Key | UDEVCZRUNOLVLU-UHFFFAOYSA-N |
| Molecular Formula | C14H20O |
2',3'-Dihydroxy-4'-methoxyacetophenone Hydrate 98.0+%, TCI America™
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CAS: 708-53-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00180772 InChI Key: VCONERRCKOKCHE-UHFFFAOYSA-N PubChem CID: 12820 IUPAC Name: 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)OC)O)O
| PubChem CID | 12820 |
|---|---|
| CAS | 708-53-2 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00180772 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)OC)O)O |
| IUPAC Name | 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone |
| InChI Key | VCONERRCKOKCHE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4'-Nitrobiphenyl-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 98648-23-8 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD06200931 InChI Key: MGHIIGWDUVNPPV-UHFFFAOYSA-N PubChem CID: 2763586 IUPAC Name: 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1
| PubChem CID | 2763586 |
|---|---|
| CAS | 98648-23-8 |
| Molecular Weight (g/mol) | 227.22 |
| MDL Number | MFCD06200931 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4'-nitro-[1,1'-biphenyl]-4-carbaldehyde |
| InChI Key | MGHIIGWDUVNPPV-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO3 |
5-Methoxy-1-indanone 98.0+%, TCI America™
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CAS: 5111-70-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00003789 InChI Key: QOPRWBRNMPANKN-UHFFFAOYSA-N Synonym: 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane PubChem CID: 78787 IUPAC Name: 5-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC2=C(C=C1)C(=O)CC2
| PubChem CID | 78787 |
|---|---|
| CAS | 5111-70-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00003789 |
| SMILES | COC1=CC2=C(C=C1)C(=O)CC2 |
| Synonym | 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane |
| IUPAC Name | 5-methoxy-2,3-dihydroinden-1-one |
| InChI Key | QOPRWBRNMPANKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Isoamyl Acetoacetate 97.0+%, TCI America™
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CAS: 2308-18-1 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059355 InChI Key: XHRGPLDMNNGHCX-UHFFFAOYSA-N Synonym: Acetoacetic Acid Isoamyl Ester, Isopentyl Acetoacetate PubChem CID: 61296 IUPAC Name: 3-methylbutyl 3-oxobutanoate SMILES: CC(C)CCOC(=O)CC(=O)C
| PubChem CID | 61296 |
|---|---|
| CAS | 2308-18-1 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00059355 |
| SMILES | CC(C)CCOC(=O)CC(=O)C |
| Synonym | Acetoacetic Acid Isoamyl Ester, Isopentyl Acetoacetate |
| IUPAC Name | 3-methylbutyl 3-oxobutanoate |
| InChI Key | XHRGPLDMNNGHCX-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |