Organooxygen compounds
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3-Acetyl-5-bromopyridine, 97%
CAS: 38940-62-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.04 MDL Number: MFCD03086033 InChI Key: LDBPZEQZCOUYFT-UHFFFAOYSA-N Synonym: 3-acetyl-5-bromopyridine,1-5-bromopyridin-3-yl ethanone,1-5-bromopyridin-3-yl ethan-1-one,ethanone, 1-5-bromo-3-pyridinyl,3-bromo-5-acetylpyridine,1-5-bromo-3-pyridyl ethanone,5-acetyl-3-bromopyridine,1-5-bromo-3-pyridinyl ethanone,pubchem15626,acmc-1aglt PubChem CID: 820423 IUPAC Name: 1-(5-bromopyridin-3-yl)ethanone SMILES: CC(=O)C1=CC(Br)=CN=C1
| PubChem CID | 820423 |
|---|---|
| CAS | 38940-62-4 |
| Molecular Weight (g/mol) | 200.04 |
| MDL Number | MFCD03086033 |
| SMILES | CC(=O)C1=CC(Br)=CN=C1 |
| Synonym | 3-acetyl-5-bromopyridine,1-5-bromopyridin-3-yl ethanone,1-5-bromopyridin-3-yl ethan-1-one,ethanone, 1-5-bromo-3-pyridinyl,3-bromo-5-acetylpyridine,1-5-bromo-3-pyridyl ethanone,5-acetyl-3-bromopyridine,1-5-bromo-3-pyridinyl ethanone,pubchem15626,acmc-1aglt |
| IUPAC Name | 1-(5-bromopyridin-3-yl)ethanone |
| InChI Key | LDBPZEQZCOUYFT-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
trans-1,2-Cyclohexanediol, 98%
CAS: 1460-57-7 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00063611 InChI Key: PFURGBBHAOXLIO-PHDIDXHHSA-N Synonym: trans-1,2-cyclohexanediol,trans-cyclohexane-1,2-diol,1r,2r-cyclohexane-1,2-diol,1r,2r-trans-1,2-cyclohexanediol,1,2-cyclohexanediol, 1r,2r-rel,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, trans,l6tj aq bq&&trans,trans-1,2-cyclohexandiol,1r,2r-1,2-cyclohexanediol PubChem CID: 92886 ChEBI: CHEBI:16931 IUPAC Name: (1R,2R)-cyclohexane-1,2-diol SMILES: O[C@@H]1CCCC[C@H]1O
| PubChem CID | 92886 |
|---|---|
| CAS | 1460-57-7 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:16931 |
| MDL Number | MFCD00063611 |
| SMILES | O[C@@H]1CCCC[C@H]1O |
| Synonym | trans-1,2-cyclohexanediol,trans-cyclohexane-1,2-diol,1r,2r-cyclohexane-1,2-diol,1r,2r-trans-1,2-cyclohexanediol,1,2-cyclohexanediol, 1r,2r-rel,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, trans,l6tj aq bq&&trans,trans-1,2-cyclohexandiol,1r,2r-1,2-cyclohexanediol |
| IUPAC Name | (1R,2R)-cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-PHDIDXHHSA-N |
| Molecular Formula | C6H12O2 |
3-Bromo-1-propanol, 95%
CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr
| PubChem CID | 12308 |
|---|---|
| CAS | 627-18-9 |
| Molecular Weight (g/mol) | 138.99 |
| MDL Number | MFCD00002942 |
| SMILES | OCCCBr |
| Synonym | 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh |
| IUPAC Name | 3-bromopropan-1-ol |
| InChI Key | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
5-Methyl-3-phenylisoxazole-4-carboxaldehyde, 97%
CAS: 87967-95-1 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD02677714 InChI Key: SMSBKEHQYUYAHK-UHFFFAOYSA-N Synonym: 5-methyl-3-phenyl-4-isoxazolecarbaldehyde,5-methyl-3-phenylisoxazole-4-carbaldehyde,5-methyl-3-phenylisoxazole-4-carboxaldehyde,5-methyl-3-phenyl-4-isoxazolecarboxaldehyde,5-methyl-3-phenyl-isoxazole-4-carbaldehyde,acmc-20am24,3-phenyl-5-methyl-4-isoxazolecarbaldehyde,3-phenyl-5-methylisoxazole-4-carbaldehyde,4-isoxazolecarboxaldehyde,5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazole carboxaldehyde PubChem CID: 2776144 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C=O)C(=NO1)C1=CC=CC=C1
| PubChem CID | 2776144 |
|---|---|
| CAS | 87967-95-1 |
| Molecular Weight (g/mol) | 187.20 |
| MDL Number | MFCD02677714 |
| SMILES | CC1=C(C=O)C(=NO1)C1=CC=CC=C1 |
| Synonym | 5-methyl-3-phenyl-4-isoxazolecarbaldehyde,5-methyl-3-phenylisoxazole-4-carbaldehyde,5-methyl-3-phenylisoxazole-4-carboxaldehyde,5-methyl-3-phenyl-4-isoxazolecarboxaldehyde,5-methyl-3-phenyl-isoxazole-4-carbaldehyde,acmc-20am24,3-phenyl-5-methyl-4-isoxazolecarbaldehyde,3-phenyl-5-methylisoxazole-4-carbaldehyde,4-isoxazolecarboxaldehyde,5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazole carboxaldehyde |
| IUPAC Name | 5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | SMSBKEHQYUYAHK-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
6-Methoxypyridine-3-carboxaldehyde, 98%
CAS: 65873-72-5 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD02683446 InChI Key: CTAIEPPAOULMFY-UHFFFAOYSA-N Synonym: 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 PubChem CID: 3364576 IUPAC Name: 6-methoxypyridine-3-carbaldehyde SMILES: COC1=CC=C(C=O)C=N1
| PubChem CID | 3364576 |
|---|---|
| CAS | 65873-72-5 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD02683446 |
| SMILES | COC1=CC=C(C=O)C=N1 |
| Synonym | 6-methoxynicotinaldehyde,6-methoxy-3-pyridinecarboxaldehyde,5-formyl-2-methoxypyridine,2-methoxypyridine-5-carboxaldehyde,5-formyl-2-methoxy-pyridine,6-methoxy-pyridine-3-carbaldehyde,6-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methoxy,6-methoxy-3-nicotinaldehyde,pubchem5152 |
| IUPAC Name | 6-methoxypyridine-3-carbaldehyde |
| InChI Key | CTAIEPPAOULMFY-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Malonyl dichloride, 94%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
| PubChem CID | 74269 |
|---|---|
| CAS | 1663-67-8 |
| Molecular Weight (g/mol) | 140.947 |
| MDL Number | MFCD00000735 |
| SMILES | C(C(=O)Cl)C(=O)Cl |
| Synonym | malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride |
| IUPAC Name | propanedioyl dichloride |
| InChI Key | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| Molecular Formula | C3H2Cl2O2 |
3',5'-Dichloro-2'-hydroxyacetophenone, 99%
CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl
| PubChem CID | 520608 |
|---|---|
| CAS | 3321-92-4 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00016417 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Cl)Cl |
| Synonym | 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol |
| IUPAC Name | 1-(3,5-dichloro-2-hydroxyphenyl)ethanone |
| InChI Key | CJFYGRLJDKWMDI-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
Methyl potassium malonate, 98%
CAS: 38330-80-2 Molecular Formula: C4H5KO4 Molecular Weight (g/mol): 156.178 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.178 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5KO4 |
2-Chloro-4-methoxypyridine, 99%, Thermo Scientific™
CAS: 17228-69-2 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD02093951 InChI Key: PMTPFBWHUOWTNN-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine PubChem CID: 1991128 IUPAC Name: 2-chloro-4-methoxypyridine SMILES: COC1=CC(=NC=C1)Cl
| PubChem CID | 1991128 |
|---|---|
| CAS | 17228-69-2 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD02093951 |
| SMILES | COC1=CC(=NC=C1)Cl |
| Synonym | 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine |
| IUPAC Name | 2-chloro-4-methoxypyridine |
| InChI Key | PMTPFBWHUOWTNN-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
2-Methoxypyridine-5-boronic acid, 95%
CAS: 163105-89-3 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD02093044 InChI Key: DHADXDMPEUWEAS-UHFFFAOYSA-N Synonym: 2-methoxy-5-pyridineboronic acid,6-methoxypyridin-3-yl boronic acid,2-methoxypyridine-5-boronic acid,2-methoxy-5-pyridinylboronic acid,6-methoxypyridine-3-boronic acid,6-methoxypyridin-3-yl-3-boronic acid,6-methoxy-pyridine-3-boronic acid,6-methoxy-3-pyridinylboronic acid,6-methoxy-3-pyridylboronic acid,6-methoxypyridin-3-yl boranediol PubChem CID: 2734368 IUPAC Name: (6-methoxypyridin-3-yl)boronic acid SMILES: COC1=CC=C(C=N1)B(O)O
| PubChem CID | 2734368 |
|---|---|
| CAS | 163105-89-3 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD02093044 |
| SMILES | COC1=CC=C(C=N1)B(O)O |
| Synonym | 2-methoxy-5-pyridineboronic acid,6-methoxypyridin-3-yl boronic acid,2-methoxypyridine-5-boronic acid,2-methoxy-5-pyridinylboronic acid,6-methoxypyridine-3-boronic acid,6-methoxypyridin-3-yl-3-boronic acid,6-methoxy-pyridine-3-boronic acid,6-methoxy-3-pyridinylboronic acid,6-methoxy-3-pyridylboronic acid,6-methoxypyridin-3-yl boranediol |
| IUPAC Name | (6-methoxypyridin-3-yl)boronic acid |
| InChI Key | DHADXDMPEUWEAS-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
Valeraldehyde, 96%
CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
cis-2-Butene-1,4-diol, 96%, remainder trans-isomer
CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 IUPAC Name: (Z)-but-2-ene-1,4-diol SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| IUPAC Name | (Z)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |
3,3-Dimethyl-1-butanol, 97%
CAS: 624-95-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002928 InChI Key: DUXCSEISVMREAX-UHFFFAOYSA-N Synonym: 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 PubChem CID: 12233 IUPAC Name: 3,3-dimethylbutan-1-ol SMILES: CC(C)(C)CCO
| PubChem CID | 12233 |
|---|---|
| CAS | 624-95-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00002928 |
| SMILES | CC(C)(C)CCO |
| Synonym | 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 |
| IUPAC Name | 3,3-dimethylbutan-1-ol |
| InChI Key | DUXCSEISVMREAX-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
1-Methylcyclopentanol, 98%
CAS: 1462-03-9 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00001364 InChI Key: CAKWRXVKWGUISE-UHFFFAOYSA-N PubChem CID: 73830 IUPAC Name: 1-methylcyclopentan-1-ol SMILES: CC1(CCCC1)O
| PubChem CID | 73830 |
|---|---|
| CAS | 1462-03-9 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00001364 |
| SMILES | CC1(CCCC1)O |
| IUPAC Name | 1-methylcyclopentan-1-ol |
| InChI Key | CAKWRXVKWGUISE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
2-Bromo-2'-fluoroacetophenone, 98%
CAS: 655-15-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00278796 InChI Key: QDNWNJSLWKHNTM-UHFFFAOYSA-N Synonym: 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone PubChem CID: 2737449 IUPAC Name: 2-bromo-1-(2-fluorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)F
| PubChem CID | 2737449 |
|---|---|
| CAS | 655-15-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00278796 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)F |
| Synonym | 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone |
| IUPAC Name | 2-bromo-1-(2-fluorophenyl)ethanone |
| InChI Key | QDNWNJSLWKHNTM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |