Organooxygen compounds
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Ethyl 2-acetyl-3-(dimethylamino)acrylate, 95%, Thermo Scientific Chemicals
CAS: 51145-57-4 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00087563 InChI Key: LQSOVGAUOHMPLK-SOFGYWHQSA-N PubChem CID: 2763877 IUPAC Name: ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate SMILES: CCOC(=O)C(=CN(C)C)C(=O)C
| PubChem CID | 2763877 |
|---|---|
| CAS | 51145-57-4 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00087563 |
| SMILES | CCOC(=O)C(=CN(C)C)C(=O)C |
| IUPAC Name | ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate |
| InChI Key | LQSOVGAUOHMPLK-SOFGYWHQSA-N |
| Molecular Formula | C9H15NO3 |
Indole-2-carboxaldehyde, 97%
CAS: 19005-93-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD03001425 InChI Key: SBNOTUDDIXOFSN-UHFFFAOYSA-N Synonym: indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd PubChem CID: 96389 IUPAC Name: 1H-indole-2-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2N1
| PubChem CID | 96389 |
|---|---|
| CAS | 19005-93-7 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD03001425 |
| SMILES | O=CC1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxaldehyde,1h-indole-2-carboxaldehyde,indole-2-carbaldehyde,2-formylindole,2-formyl-1h-indole,1h-indolecarboxaldehyde,unii-r5n9cd7dlm,r5n9cd7dlm,methanol, 2h-indol-2-ylidene-, 1e-9ci,indolaldehyd |
| IUPAC Name | 1H-indole-2-carbaldehyde |
| InChI Key | SBNOTUDDIXOFSN-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
4-Acetyl-N-methylaniline, 97%
CAS: 17687-47-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD09261160 InChI Key: GDBAYICEBDZUNM-UHFFFAOYSA-N Synonym: 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone PubChem CID: 11607936 IUPAC Name: 1-[4-(methylamino)phenyl]ethanone SMILES: CNC1=CC=C(C=C1)C(C)=O
| PubChem CID | 11607936 |
|---|---|
| CAS | 17687-47-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD09261160 |
| SMILES | CNC1=CC=C(C=C1)C(C)=O |
| Synonym | 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone |
| IUPAC Name | 1-[4-(methylamino)phenyl]ethanone |
| InChI Key | GDBAYICEBDZUNM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Methyl 4-chloroacetoacetate, 97+%
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
Ethyl 4-formylpyrrole-2-carboxylate, 96%
CAS: 7126-57-0 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD04122505 InChI Key: WVSAWXIWWNJTAV-UHFFFAOYSA-N Synonym: ethyl 4-formylpyrrole-2-carboxylate,4-formyl-1h-pyrrole-2-carboxylic acid ethyl ester,1h-pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester,acmc-20akyk,pubchem14845,ethyl4-formyl-1h-pyrrole-2-carboxylate,ethyl 4-methanoyl-1h-pyrrole-2-carboxylate,1h-pyrrole-2-carboxylicacid, 4-formyl-, ethyl ester PubChem CID: 321486 IUPAC Name: ethyl 4-formyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(=CN1)C=O
| PubChem CID | 321486 |
|---|---|
| CAS | 7126-57-0 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD04122505 |
| SMILES | CCOC(=O)C1=CC(=CN1)C=O |
| Synonym | ethyl 4-formylpyrrole-2-carboxylate,4-formyl-1h-pyrrole-2-carboxylic acid ethyl ester,1h-pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester,acmc-20akyk,pubchem14845,ethyl4-formyl-1h-pyrrole-2-carboxylate,ethyl 4-methanoyl-1h-pyrrole-2-carboxylate,1h-pyrrole-2-carboxylicacid, 4-formyl-, ethyl ester |
| IUPAC Name | ethyl 4-formyl-1H-pyrrole-2-carboxylate |
| InChI Key | WVSAWXIWWNJTAV-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
2,3-Dihydrobenzo[b]furan-5-carboxaldehyde, 97%
CAS: 55745-70-5 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00068058 InChI Key: WEBVDBDZSOJGPB-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde PubChem CID: 735901 IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde SMILES: O=CC1=CC=C2OCCC2=C1
| PubChem CID | 735901 |
|---|---|
| CAS | 55745-70-5 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00068058 |
| SMILES | O=CC1=CC=C2OCCC2=C1 |
| Synonym | 2,3-dihydrobenzofuran-5-carboxaldehyde,2,3-dihydrobenzo b furan-5-carbaldehyde,2,3-dihydrobenzofuran-5-carbaldehyde,2,3-dihydrobenzo b furan-5-carboxaldehyde,2,3-dihyro-1-benzofuran-5-carbaldehyde,2,3-dihydro-benzofuran-5-carbaldehyde,5-coumarancarboxaldehyde,2,3-dihydro-5-benzofurancarboxaldehyde,5-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydro-5-benzofurancarbaldehyde |
| IUPAC Name | 2,3-dihydro-1-benzofuran-5-carbaldehyde |
| InChI Key | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
4-Bromosalicylaldehyde, 97%
CAS: 22532-62-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD06252606 InChI Key: HXTWKHXDFATMSP-UHFFFAOYSA-N Synonym: 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde PubChem CID: 4066019 IUPAC Name: 4-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)O)C=O
| PubChem CID | 4066019 |
|---|---|
| CAS | 22532-62-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD06252606 |
| SMILES | C1=CC(=C(C=C1Br)O)C=O |
| Synonym | 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde |
| IUPAC Name | 4-bromo-2-hydroxybenzaldehyde |
| InChI Key | HXTWKHXDFATMSP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
3-Amino-1-adamantanol, 98+%
CAS: 702-82-9 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD01821204 InChI Key: DWPIPTNBOVJYAD-UHFFFAOYSA-N Synonym: 3-amino-1-adamantanol,3-amino-1-hydroxyadamantane,1-amino-3-adamantanol,3-amino-adamantanol,1-aminoadamantane-3-ol,3-hydroxy-1-aminoadamantane,1-amino-3-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol, 3-amino,3-azanyladamantan-1-ol,3-hydroxyadamantane amine PubChem CID: 658645 IUPAC Name: 3-aminoadamantan-1-ol SMILES: C1C2CC3(CC1CC(C2)(C3)O)N
| PubChem CID | 658645 |
|---|---|
| CAS | 702-82-9 |
| Molecular Weight (g/mol) | 167.252 |
| MDL Number | MFCD01821204 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)O)N |
| Synonym | 3-amino-1-adamantanol,3-amino-1-hydroxyadamantane,1-amino-3-adamantanol,3-amino-adamantanol,1-aminoadamantane-3-ol,3-hydroxy-1-aminoadamantane,1-amino-3-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol, 3-amino,3-azanyladamantan-1-ol,3-hydroxyadamantane amine |
| IUPAC Name | 3-aminoadamantan-1-ol |
| InChI Key | DWPIPTNBOVJYAD-UHFFFAOYSA-N |
| Molecular Formula | C10H17NO |
Cerium(IV) 2-methoxyethoxide, 18-20% w/w in 2-methoxyethanol
CAS: 876107-33-4 Molecular Formula: C12H28CeO8 Molecular Weight (g/mol): 440.464 MDL Number: MFCD00236530 InChI Key: JRRALIVAHBLZSS-UHFFFAOYSA-N Synonym: cerium iv methoxyethoxide w/w in methoxyethanol,tetrakis 2-methoxyethoxy cerium iv,cerium 4+ tetrakis 2-methoxyethan-1-olate,cerium iv methoxyethoxide in methoxyethanol PubChem CID: 21200429 IUPAC Name: cerium(4+);2-methoxyethanolate SMILES: COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4]
| PubChem CID | 21200429 |
|---|---|
| CAS | 876107-33-4 |
| Molecular Weight (g/mol) | 440.464 |
| MDL Number | MFCD00236530 |
| SMILES | COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4] |
| Synonym | cerium iv methoxyethoxide w/w in methoxyethanol,tetrakis 2-methoxyethoxy cerium iv,cerium 4+ tetrakis 2-methoxyethan-1-olate,cerium iv methoxyethoxide in methoxyethanol |
| IUPAC Name | cerium(4+);2-methoxyethanolate |
| InChI Key | JRRALIVAHBLZSS-UHFFFAOYSA-N |
| Molecular Formula | C12H28CeO8 |
Ethyl 5-benzyloxyindole-2-carboxylate, 97%
CAS: 37033-95-7 Molecular Formula: C18H17NO3 Molecular Weight (g/mol): 295.338 MDL Number: MFCD00022702 InChI Key: DCIFXYFKVKDOLL-UHFFFAOYSA-N Synonym: ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester PubChem CID: 95721 IUPAC Name: ethyl 5-phenylmethoxy-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
| PubChem CID | 95721 |
|---|---|
| CAS | 37033-95-7 |
| Molecular Weight (g/mol) | 295.338 |
| MDL Number | MFCD00022702 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3 |
| Synonym | ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester |
| IUPAC Name | ethyl 5-phenylmethoxy-1H-indole-2-carboxylate |
| InChI Key | DCIFXYFKVKDOLL-UHFFFAOYSA-N |
| Molecular Formula | C18H17NO3 |
Zirconium(IV) tert-butoxide, 99.99% (metals basis), Thermo Scientific Chemicals
CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
| PubChem CID | 25203936 |
|---|---|
| CAS | 2081-12-1 |
| Molecular Weight (g/mol) | 387.72 |
| MDL Number | MFCD00075085 |
| SMILES | CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr] |
| Synonym | zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium |
| IUPAC Name | 2-methylpropan-2-ol;zirconium |
| InChI Key | WRMYASGYMABHCC-UHFFFAOYSA-N |
| Molecular Formula | C16H40O4Zr |
L-(+)-Ascorbic acid, Electrophoresis Grade, 99+%
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 95%
CAS: 104206-65-7 Molecular Formula: C14H10F3NO5 Molecular Weight (g/mol): 329.231 MDL Number: MFCD01752192 InChI Key: OUBCNLGXQFSTLU-UHFFFAOYSA-N Synonym: nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona PubChem CID: 115355 ChEBI: CHEBI:50378 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 115355 |
|---|---|
| CAS | 104206-65-7 |
| Molecular Weight (g/mol) | 329.231 |
| ChEBI | CHEBI:50378 |
| MDL Number | MFCD01752192 |
| SMILES | C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| Synonym | nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona |
| IUPAC Name | 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione |
| InChI Key | OUBCNLGXQFSTLU-UHFFFAOYSA-N |
| Molecular Formula | C14H10F3NO5 |
(R)-2-(1-Hydroxyethyl)pyridine
CAS: 27911-63-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD04972322 InChI Key: PPHIIIRFJKDTLG-ZCFIWIBFSA-N Synonym: r-1-pyridin-2-yl ethanol,r-2-1-hydroxyethyl pyridine,r-1-2-pyridyl ethanol,1r-1-pyridin-2-yl ethan-1-ol,r-alpha-methyl-2-pyridinemethanol,1r-1-pyridin-2-ylethanol,1r-1-pyridin-2-yl ethanol,pubchem5699,r-1-pyridin-2-yl-ethanol,1r-1-2-pyridyl ethanol PubChem CID: 642847 IUPAC Name: (1R)-1-pyridin-2-ylethanol SMILES: CC(C1=CC=CC=N1)O
| PubChem CID | 642847 |
|---|---|
| CAS | 27911-63-3 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD04972322 |
| SMILES | CC(C1=CC=CC=N1)O |
| Synonym | r-1-pyridin-2-yl ethanol,r-2-1-hydroxyethyl pyridine,r-1-2-pyridyl ethanol,1r-1-pyridin-2-yl ethan-1-ol,r-alpha-methyl-2-pyridinemethanol,1r-1-pyridin-2-ylethanol,1r-1-pyridin-2-yl ethanol,pubchem5699,r-1-pyridin-2-yl-ethanol,1r-1-2-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-2-ylethanol |
| InChI Key | PPHIIIRFJKDTLG-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
3-Benzylidene-2,4-pentanedione, 97%
CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O
| PubChem CID | 95782 |
|---|---|
| CAS | 4335-90-4 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00014990 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C(C)=O |
| Synonym | 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone |
| IUPAC Name | 3-benzylidenepentane-2,4-dione |
| InChI Key | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |