Organooxygen compounds
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3-Benzoylpyridine, 98+%
CAS: 5424-19-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006394 InChI Key: RYMBAPVTUHZCNF-UHFFFAOYSA-N Synonym: 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone PubChem CID: 21540 IUPAC Name: phenyl(pyridin-3-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CN=CC=C2
| PubChem CID | 21540 |
|---|---|
| CAS | 5424-19-1 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006394 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 |
| Synonym | 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone |
| IUPAC Name | phenyl(pyridin-3-yl)methanone |
| InChI Key | RYMBAPVTUHZCNF-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
6-Bromoindole-3-carboxaldehyde, 95%
CAS: 17826-04-9 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00792689 InChI Key: WCCLQCBKBPTODV-UHFFFAOYSA-N Synonym: 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa PubChem CID: 2794830 IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde SMILES: BrC1=CC=C2C(NC=C2C=O)=C1
| PubChem CID | 2794830 |
|---|---|
| CAS | 17826-04-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00792689 |
| SMILES | BrC1=CC=C2C(NC=C2C=O)=C1 |
| Synonym | 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa |
| IUPAC Name | 6-bromo-1H-indole-3-carbaldehyde |
| InChI Key | WCCLQCBKBPTODV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
7-Methoxy-1-indanone, 95%
CAS: 34985-41-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD06659666 InChI Key: CZXBVBATQPHSSL-UHFFFAOYSA-N PubChem CID: 288143 IUPAC Name: 7-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=CC2=C1C(=O)CC2
| PubChem CID | 288143 |
|---|---|
| CAS | 34985-41-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD06659666 |
| SMILES | COC1=CC=CC2=C1C(=O)CC2 |
| IUPAC Name | 7-methoxy-2,3-dihydroinden-1-one |
| InChI Key | CZXBVBATQPHSSL-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
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 |
Gossypol-acetic acid
CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 MDL Number: MFCD00058385 InChI Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonym: gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex PubChem CID: 227456 IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O
| PubChem CID | 227456 |
|---|---|
| CAS | 12542-36-8 |
| Molecular Weight (g/mol) | 578.614 |
| MDL Number | MFCD00058385 |
| SMILES | CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O |
| Synonym | gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex |
| IUPAC Name | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| InChI Key | NIOHNDKHQHVLKA-UHFFFAOYSA-N |
| Molecular Formula | C32H34O10 |
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-Dihydroxybenzaldehyde, 97%
CAS: 24677-78-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00003324 InChI Key: IXWOUPGDGMCKGT-UHFFFAOYSA-N Synonym: o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde PubChem CID: 90579 ChEBI: CHEBI:50197 IUPAC Name: 2,3-dihydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)O)O)C=O
| PubChem CID | 90579 |
|---|---|
| CAS | 24677-78-9 |
| Molecular Weight (g/mol) | 138.122 |
| ChEBI | CHEBI:50197 |
| MDL Number | MFCD00003324 |
| SMILES | C1=CC(=C(C(=C1)O)O)C=O |
| Synonym | o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde |
| IUPAC Name | 2,3-dihydroxybenzaldehyde |
| InChI Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
Oxalacetic acid, 98+%
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O
| PubChem CID | 970 |
|---|---|
| CAS | 328-42-7 |
| Molecular Weight (g/mol) | 132.071 |
| ChEBI | CHEBI:30744 |
| MDL Number | MFCD00002592 |
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| Synonym | oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate |
| IUPAC Name | 2-oxobutanedioic acid |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
2-Acetyl-5-methylfuran, 98+%
CAS: 1193-79-9 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00003243 InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone PubChem CID: 14514 ChEBI: CHEBI:562752 IUPAC Name: 1-(5-methylfuran-2-yl)ethanone SMILES: CC1=CC=C(O1)C(=O)C
| PubChem CID | 14514 |
|---|---|
| CAS | 1193-79-9 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:562752 |
| MDL Number | MFCD00003243 |
| SMILES | CC1=CC=C(O1)C(=O)C |
| Synonym | 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone |
| IUPAC Name | 1-(5-methylfuran-2-yl)ethanone |
| InChI Key | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
Ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate, 98%
CAS: 2386-26-7 Molecular Formula: C11H15NO3 Molecular Weight (g/mol): 209.25 MDL Number: MFCD00022373 InChI Key: ALRDOFWBPAZOCW-UHFFFAOYSA-N Synonym: 3-acetyl-2,4-dimethyl-5-carbethoxypyrrole,2,4-dimethyl-3-acetyl-5-carbethoxypyrrole,1h-pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester,ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate,4-acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester,3-acetyl-2,4-dimethyl-5-ethoxycarbonyl pyrrole,pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester,4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,maybridge1_002117,acmc-1cg5g PubChem CID: 16947 IUPAC Name: ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C)C(C(C)=O)=C(C)N1
| PubChem CID | 16947 |
|---|---|
| CAS | 2386-26-7 |
| Molecular Weight (g/mol) | 209.25 |
| MDL Number | MFCD00022373 |
| SMILES | CCOC(=O)C1=C(C)C(C(C)=O)=C(C)N1 |
| Synonym | 3-acetyl-2,4-dimethyl-5-carbethoxypyrrole,2,4-dimethyl-3-acetyl-5-carbethoxypyrrole,1h-pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester,ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate,4-acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester,3-acetyl-2,4-dimethyl-5-ethoxycarbonyl pyrrole,pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester,4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,maybridge1_002117,acmc-1cg5g |
| IUPAC Name | ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| InChI Key | ALRDOFWBPAZOCW-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO3 |
Tetraethyl orthocarbonate, 97+%
CAS: 78-09-1 Molecular Formula: C9H20O4 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00009221 InChI Key: CWLNAJYDRSIKJS-UHFFFAOYSA-N Synonym: tetraethyl orthocarbonate,tetraethoxymethane,triethoxymethoxy ethane,tetraethylorthocarbonate,ethane, 1,1',1,1'-methanetetrayltetrakis oxy tetrakis,orthocarbonic acid, tetraethyl ester,tetraethyi orthocarbonate,tetra ethyl orthocarbonate,1-triethoxymethoxy ethane PubChem CID: 66213 IUPAC Name: triethoxymethoxyethane SMILES: CCOC(OCC)(OCC)OCC
| PubChem CID | 66213 |
|---|---|
| CAS | 78-09-1 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD00009221 |
| SMILES | CCOC(OCC)(OCC)OCC |
| Synonym | tetraethyl orthocarbonate,tetraethoxymethane,triethoxymethoxy ethane,tetraethylorthocarbonate,ethane, 1,1',1,1'-methanetetrayltetrakis oxy tetrakis,orthocarbonic acid, tetraethyl ester,tetraethyi orthocarbonate,tetra ethyl orthocarbonate,1-triethoxymethoxy ethane |
| IUPAC Name | triethoxymethoxyethane |
| InChI Key | CWLNAJYDRSIKJS-UHFFFAOYSA-N |
| Molecular Formula | C9H20O4 |
1,4-Dimethoxynaphthalene, 96%
CAS: 10075-62-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00052378 InChI Key: FWWRTYBQQDXLDD-UHFFFAOYSA-N PubChem CID: 82337 IUPAC Name: 1,4-dimethoxynaphthalene SMILES: COC1=CC=C(C2=CC=CC=C21)OC
| PubChem CID | 82337 |
|---|---|
| CAS | 10075-62-4 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD00052378 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)OC |
| IUPAC Name | 1,4-dimethoxynaphthalene |
| InChI Key | FWWRTYBQQDXLDD-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
4-Acetylbenzoic acid, 98+%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
Undecanal, 97%
CAS: 112-44-7 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 MDL Number: MFCD00007016 InChI Key: KMPQYAYAQWNLME-UHFFFAOYSA-N Synonym: undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde PubChem CID: 8186 ChEBI: CHEBI:46202 IUPAC Name: undecanal SMILES: CCCCCCCCCCC=O
| PubChem CID | 8186 |
|---|---|
| CAS | 112-44-7 |
| Molecular Weight (g/mol) | 170.296 |
| ChEBI | CHEBI:46202 |
| MDL Number | MFCD00007016 |
| SMILES | CCCCCCCCCCC=O |
| Synonym | undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde |
| IUPAC Name | undecanal |
| InChI Key | KMPQYAYAQWNLME-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |