Organooxygen compounds
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Ethoxyacetic acid, 98%
CAS: 627-03-2 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004310 InChI Key: YZGQDNOIGFBYKF-UHFFFAOYSA-N Synonym: ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 PubChem CID: 12301 IUPAC Name: 2-ethoxyacetic acid SMILES: CCOCC(=O)O
| PubChem CID | 12301 |
|---|---|
| CAS | 627-03-2 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00004310 |
| SMILES | CCOCC(=O)O |
| Synonym | ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 |
| IUPAC Name | 2-ethoxyacetic acid |
| InChI Key | YZGQDNOIGFBYKF-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Ethyl butyrylacetate, 98%
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC
| PubChem CID | 238498 |
|---|---|
| CAS | 3249-68-1 |
| Molecular Weight (g/mol) | 158.20 |
| ChEBI | CHEBI:18119 |
| MDL Number | MFCD00009401 |
| SMILES | CCCC(=O)CC(=O)OCC |
| Synonym | ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 |
| IUPAC Name | ethyl 3-oxohexanoate |
| InChI Key | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
5-Iodo-2-methoxypyridine, 98%
CAS: 13472-61-2 Molecular Formula: C6H6INO Molecular Weight (g/mol): 235.024 MDL Number: MFCD07781180 InChI Key: NTXRNCUPGYOZCN-UHFFFAOYSA-N Synonym: 2-methoxy-5-iodopyridine,pyridine, 5-iodo-2-methoxy,pyridine,5-iodo-2-methoxy,pubchem6606,acmc-1c1li,5-iodanyl-2-methoxy-pyridine PubChem CID: 23423786 IUPAC Name: 5-iodo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)I
| PubChem CID | 23423786 |
|---|---|
| CAS | 13472-61-2 |
| Molecular Weight (g/mol) | 235.024 |
| MDL Number | MFCD07781180 |
| SMILES | COC1=NC=C(C=C1)I |
| Synonym | 2-methoxy-5-iodopyridine,pyridine, 5-iodo-2-methoxy,pyridine,5-iodo-2-methoxy,pubchem6606,acmc-1c1li,5-iodanyl-2-methoxy-pyridine |
| IUPAC Name | 5-iodo-2-methoxypyridine |
| InChI Key | NTXRNCUPGYOZCN-UHFFFAOYSA-N |
| Molecular Formula | C6H6INO |
6-Bromopyridine-2-carboxaldehyde, 97%
CAS: 34160-40-2 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD02683546 InChI Key: QWFHFNGMCPMOCD-UHFFFAOYSA-N Synonym: 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde PubChem CID: 2757009 IUPAC Name: 6-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Br)C=O
| PubChem CID | 2757009 |
|---|---|
| CAS | 34160-40-2 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD02683546 |
| SMILES | C1=CC(=NC(=C1)Br)C=O |
| Synonym | 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde |
| IUPAC Name | 6-bromopyridine-2-carbaldehyde |
| InChI Key | QWFHFNGMCPMOCD-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Oleyl alcohol, 99+%
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
5-Acetylthiophene-2-carbonitrile, 97%
CAS: 88653-55-8 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00052314 InChI Key: VSHPLUBHIUFLES-UHFFFAOYSA-N Synonym: 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci PubChem CID: 2747565 IUPAC Name: 5-acetylthiophene-2-carbonitrile SMILES: CC(=O)C1=CC=C(S1)C#N
| PubChem CID | 2747565 |
|---|---|
| CAS | 88653-55-8 |
| Molecular Weight (g/mol) | 151.183 |
| MDL Number | MFCD00052314 |
| SMILES | CC(=O)C1=CC=C(S1)C#N |
| Synonym | 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci |
| IUPAC Name | 5-acetylthiophene-2-carbonitrile |
| InChI Key | VSHPLUBHIUFLES-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone, 97%, Thermo Scientific™
CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1
| PubChem CID | 7060546 |
|---|---|
| CAS | 1131-87-9 |
| Molecular Weight (g/mol) | 255.13 |
| MDL Number | MFCD07368508 |
| SMILES | BrCC(=O)C1=CC=C2SC=CC2=C1 |
| Synonym | 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one |
| IUPAC Name | 1-(1-benzothiophen-5-yl)-2-bromoethanone |
| InChI Key | NTQPGUCRHJHYIA-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrOS |
3-Chloro-2,4-pentanedione, 98%
CAS: 1694-29-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.56 MDL Number: MFCD00009651 InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N PubChem CID: 74328 IUPAC Name: 3-chloropentane-2,4-dione SMILES: CC(=O)C(C(=O)C)Cl
| PubChem CID | 74328 |
|---|---|
| CAS | 1694-29-7 |
| Molecular Weight (g/mol) | 134.56 |
| MDL Number | MFCD00009651 |
| SMILES | CC(=O)C(C(=O)C)Cl |
| IUPAC Name | 3-chloropentane-2,4-dione |
| InChI Key | VLRGXXKFHVJQOL-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO2 |
Benzo[b]furan-7-carbaldehyde, Thermo Scientific™
CAS: 95333-14-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD08272125 InChI Key: RGPUSZZTRKTMNA-UHFFFAOYSA-N Synonym: benzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde,7-formylbenzofuran,7-benzofurancarboxaldehyde 9ci,benzofuran-7-carboxaldehyde,7-benzo b furancarbaldehyde,benzo b furan-7-carbaldehyde PubChem CID: 11126406 IUPAC Name: 1-benzofuran-7-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)OC=C2
| PubChem CID | 11126406 |
|---|---|
| CAS | 95333-14-5 |
| Molecular Weight (g/mol) | 146.145 |
| MDL Number | MFCD08272125 |
| SMILES | C1=CC2=C(C(=C1)C=O)OC=C2 |
| Synonym | benzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde,7-formylbenzofuran,7-benzofurancarboxaldehyde 9ci,benzofuran-7-carboxaldehyde,7-benzo b furancarbaldehyde,benzo b furan-7-carbaldehyde |
| IUPAC Name | 1-benzofuran-7-carbaldehyde |
| InChI Key | RGPUSZZTRKTMNA-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
(S)-(-)-2-Phenyl-1-propanol, 98+%
CAS: 37778-99-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00145249 InChI Key: RNDNSYIPLPAXAZ-MRVPVSSYSA-N Synonym: s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol PubChem CID: 447661 IUPAC Name: (2S)-2-phenylpropan-1-ol SMILES: CC(CO)C1=CC=CC=C1
| PubChem CID | 447661 |
|---|---|
| CAS | 37778-99-7 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00145249 |
| SMILES | CC(CO)C1=CC=CC=C1 |
| Synonym | s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol |
| IUPAC Name | (2S)-2-phenylpropan-1-ol |
| InChI Key | RNDNSYIPLPAXAZ-MRVPVSSYSA-N |
| Molecular Formula | C9H12O |
2-Fluorocyclohexanone, 96%
CAS: 694-82-6 Molecular Formula: C6H9FO Molecular Weight (g/mol): 116.135 MDL Number: MFCD01076476 InChI Key: VQYOFTVCYSPHPG-UHFFFAOYSA-N Synonym: 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one PubChem CID: 11829404 IUPAC Name: 2-fluorocyclohexan-1-one SMILES: C1CCC(=O)C(C1)F
| PubChem CID | 11829404 |
|---|---|
| CAS | 694-82-6 |
| Molecular Weight (g/mol) | 116.135 |
| MDL Number | MFCD01076476 |
| SMILES | C1CCC(=O)C(C1)F |
| Synonym | 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one |
| IUPAC Name | 2-fluorocyclohexan-1-one |
| InChI Key | VQYOFTVCYSPHPG-UHFFFAOYSA-N |
| Molecular Formula | C6H9FO |
3'-Formyl(1,1'-biphenyl)-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 222180-19-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD04039068 InChI Key: QOCUSJPHQSKJJR-UHFFFAOYSA-N Synonym: 3'-formyl-1,1'-biphenyl-3-carboxylic acid,3-3-formylphenyl benzoic acid,3'-formylbiphenyl-3-carboxylic acid,3'-formyl 1,1'-biphenyl-3-carboxylic acid,3'-formyl-biphenyl-3-carboxylic acid,amtda124,acmc-1cb16,1,1'-biphenyl-3-carboxylicacid, 3'-formyl PubChem CID: 2794721 IUPAC Name: 3-(3-formylphenyl)benzoic acid SMILES: C1=CC(=CC(=C1)C=O)C2=CC(=CC=C2)C(=O)O
| PubChem CID | 2794721 |
|---|---|
| CAS | 222180-19-0 |
| Molecular Weight (g/mol) | 226.231 |
| MDL Number | MFCD04039068 |
| SMILES | C1=CC(=CC(=C1)C=O)C2=CC(=CC=C2)C(=O)O |
| Synonym | 3'-formyl-1,1'-biphenyl-3-carboxylic acid,3-3-formylphenyl benzoic acid,3'-formylbiphenyl-3-carboxylic acid,3'-formyl 1,1'-biphenyl-3-carboxylic acid,3'-formyl-biphenyl-3-carboxylic acid,amtda124,acmc-1cb16,1,1'-biphenyl-3-carboxylicacid, 3'-formyl |
| IUPAC Name | 3-(3-formylphenyl)benzoic acid |
| InChI Key | QOCUSJPHQSKJJR-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
3'-Aminoacetophenone, 97%
CAS: 99-03-6 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007796 InChI Key: CKQHAYFOPRIUOM-UHFFFAOYSA-N Synonym: 3'-aminoacetophenone,1-3-aminophenyl ethanone,m-aminoacetophenone,3-aminoacetophenone,3-acetylaniline,m-acetylaniline,ethanone, 1-3-aminophenyl,1-3-aminophenyl ethan-1-one,m-aminoacetylbenzene,acetophenone, 3'-amino PubChem CID: 7417 IUPAC Name: 1-(3-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC(N)=C1
| PubChem CID | 7417 |
|---|---|
| CAS | 99-03-6 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007796 |
| SMILES | CC(=O)C1=CC=CC(N)=C1 |
| Synonym | 3'-aminoacetophenone,1-3-aminophenyl ethanone,m-aminoacetophenone,3-aminoacetophenone,3-acetylaniline,m-acetylaniline,ethanone, 1-3-aminophenyl,1-3-aminophenyl ethan-1-one,m-aminoacetylbenzene,acetophenone, 3'-amino |
| IUPAC Name | 1-(3-aminophenyl)ethanone |
| InChI Key | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Quinoline-4-carboxaldehyde, 97+%
CAS: 4363-93-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00006781 InChI Key: MGCGJBXTNWUHQE-UHFFFAOYSA-N Synonym: 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde PubChem CID: 78072 IUPAC Name: quinoline-4-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=NC=C1
| PubChem CID | 78072 |
|---|---|
| CAS | 4363-93-3 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00006781 |
| SMILES | O=CC1=C2C=CC=CC2=NC=C1 |
| Synonym | 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde |
| IUPAC Name | quinoline-4-carbaldehyde |
| InChI Key | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
5-Methoxyindole, 98%
CAS: 1006-94-6 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00005674 InChI Key: DWAQDRSOVMLGRQ-UHFFFAOYSA-N Synonym: 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- PubChem CID: 13872 IUPAC Name: 5-methoxy-1H-indole SMILES: COC1=CC2=C(C=C1)NC=C2
| PubChem CID | 13872 |
|---|---|
| CAS | 1006-94-6 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00005674 |
| SMILES | COC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- |
| IUPAC Name | 5-methoxy-1H-indole |
| InChI Key | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |