Organooxygen compounds
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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 |
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 |
Methyl 2-oxoindane-1-carboxylate, 97%
CAS: 104620-34-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD06200715 InChI Key: RWSYHHRDYRDVQL-UHFFFAOYSA-N Synonym: methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester PubChem CID: 10888732 IUPAC Name: methyl 2-oxo-1,3-dihydroindene-1-carboxylate SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12
| PubChem CID | 10888732 |
|---|---|
| CAS | 104620-34-0 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD06200715 |
| SMILES | COC(=O)C1C(=O)CC2=CC=CC=C12 |
| Synonym | methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester |
| IUPAC Name | methyl 2-oxo-1,3-dihydroindene-1-carboxylate |
| InChI Key | RWSYHHRDYRDVQL-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |
6-Methoxypyridine-2-carboxaldehyde, 96%
CAS: 54221-96-4 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD05664030 InChI Key: YDNWTNODZDSPNZ-UHFFFAOYSA-N Synonym: 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l PubChem CID: 12325392 IUPAC Name: 6-methoxypyridine-2-carbaldehyde SMILES: COC1=CC=CC(=N1)C=O
| PubChem CID | 12325392 |
|---|---|
| CAS | 54221-96-4 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD05664030 |
| SMILES | COC1=CC=CC(=N1)C=O |
| Synonym | 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l |
| IUPAC Name | 6-methoxypyridine-2-carbaldehyde |
| InChI Key | YDNWTNODZDSPNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Bis(2-methoxyethyl) ether, 99%, extra pure
CAS: 111-96-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 InChI Key: SBZXBUIDTXKZTM-UHFFFAOYSA-N Synonym: diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane PubChem CID: 8150 ChEBI: CHEBI:46784 IUPAC Name: 1-methoxy-2-(2-methoxyethoxy)ethane SMILES: COCCOCCOC
| PubChem CID | 8150 |
|---|---|
| CAS | 111-96-6 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:46784 |
| SMILES | COCCOCCOC |
| Synonym | diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane |
| IUPAC Name | 1-methoxy-2-(2-methoxyethoxy)ethane |
| InChI Key | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
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 |
4-(Trifluoroacetyl)benzoic acid, 97+%
CAS: 58808-59-6 Molecular Formula: C9H5F3O3 Molecular Weight (g/mol): 218.131 MDL Number: MFCD00052340 InChI Key: WLTZCRCZDLLXQP-UHFFFAOYSA-N Synonym: 4-trifluoroacetyl benzoic acid,4-2,2,2-trifluoroacetyl benzoic acid,benzoic acid, 4-trifluoroacetyl,4-2,2,2-trifluoro-acetyl-benzoic acid,benzoic acid, 4-trifluoroacetyl-9ci,4-carboxy-a,a,a-trifluoroacetophenone,pubchem13997,acmc-1atst,4-trifluoroacetylbenzoic acid,labotest-bb lt00454127 PubChem CID: 143579 IUPAC Name: 4-(2,2,2-trifluoroacetyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O
| PubChem CID | 143579 |
|---|---|
| CAS | 58808-59-6 |
| Molecular Weight (g/mol) | 218.131 |
| MDL Number | MFCD00052340 |
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O |
| Synonym | 4-trifluoroacetyl benzoic acid,4-2,2,2-trifluoroacetyl benzoic acid,benzoic acid, 4-trifluoroacetyl,4-2,2,2-trifluoro-acetyl-benzoic acid,benzoic acid, 4-trifluoroacetyl-9ci,4-carboxy-a,a,a-trifluoroacetophenone,pubchem13997,acmc-1atst,4-trifluoroacetylbenzoic acid,labotest-bb lt00454127 |
| IUPAC Name | 4-(2,2,2-trifluoroacetyl)benzoic acid |
| InChI Key | WLTZCRCZDLLXQP-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3O3 |
Decanophenone, 98+%
CAS: 6048-82-4 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.37 MDL Number: MFCD00009582 InChI Key: QQXJNLYVPPBERR-UHFFFAOYSA-N Synonym: decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb PubChem CID: 80148 IUPAC Name: 1-phenyldecan-1-one SMILES: CCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 80148 |
|---|---|
| CAS | 6048-82-4 |
| Molecular Weight (g/mol) | 232.37 |
| MDL Number | MFCD00009582 |
| SMILES | CCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb |
| IUPAC Name | 1-phenyldecan-1-one |
| InChI Key | QQXJNLYVPPBERR-UHFFFAOYSA-N |
| Molecular Formula | C16H24O |
Glycolaldehyde diethyl acetal, stab. with ca 0.1% sodium carbonate, 98%
CAS: 621-63-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.175 MDL Number: MFCD00051486 InChI Key: IKKUKDZKIIIKJK-UHFFFAOYSA-N Synonym: ethanol, 2,2-diethoxy,glycolaldehyde diethyl acetal,2,2-diethoxy-ethanol,2,2-diethoxyethan-1-ol,glycolaldehyde, diethyl acetal,2,2-diethoxy alcohol,glycolaldehyde diethyl acetal, stab. with ca sodium carbonate,ethanol,2-diethoxy,acmc-20a2bj PubChem CID: 12129 IUPAC Name: 2,2-diethoxyethanol SMILES: CCOC(CO)OCC
| PubChem CID | 12129 |
|---|---|
| CAS | 621-63-6 |
| Molecular Weight (g/mol) | 134.175 |
| MDL Number | MFCD00051486 |
| SMILES | CCOC(CO)OCC |
| Synonym | ethanol, 2,2-diethoxy,glycolaldehyde diethyl acetal,2,2-diethoxy-ethanol,2,2-diethoxyethan-1-ol,glycolaldehyde, diethyl acetal,2,2-diethoxy alcohol,glycolaldehyde diethyl acetal, stab. with ca sodium carbonate,ethanol,2-diethoxy,acmc-20a2bj |
| IUPAC Name | 2,2-diethoxyethanol |
| InChI Key | IKKUKDZKIIIKJK-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
6-Methoxyindole, 98+%
CAS: 3189-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00022780 InChI Key: QJRWYBIKLXNYLF-UHFFFAOYSA-N Synonym: 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole PubChem CID: 76659 IUPAC Name: 6-methoxy-1H-indole SMILES: COC1=CC=C2C=CNC2=C1
| PubChem CID | 76659 |
|---|---|
| CAS | 3189-13-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00022780 |
| SMILES | COC1=CC=C2C=CNC2=C1 |
| Synonym | 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole |
| IUPAC Name | 6-methoxy-1H-indole |
| InChI Key | QJRWYBIKLXNYLF-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
1-Benzoylacetone, 98%
CAS: 93-91-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008786 InChI Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N Synonym: benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton PubChem CID: 7166 IUPAC Name: 1-phenylbutane-1,3-dione SMILES: CC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7166 |
|---|---|
| CAS | 93-91-4 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00008786 |
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton |
| IUPAC Name | 1-phenylbutane-1,3-dione |
| InChI Key | CVBUKMMMRLOKQR-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Malonyl dichloride, 97%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 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) | 140.95 |
| 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 |
Diethyl phenylmalonate, 98%
CAS: 83-13-6 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 66514 |
|---|---|
| CAS | 83-13-6 |
| MDL Number | MFCD00009144 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate |
| IUPAC Name | diethyl 2-phenylpropanedioate |
| InChI Key | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
4'-Methoxypropiophenone, 99%
CAS: 121-97-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 67144 |
|---|---|
| CAS | 121-97-1 |
| Molecular Weight (g/mol) | 164.2 |
| MDL Number | MFCD00009310 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OC |
| IUPAC Name | 1-(4-methoxyphenyl)propan-1-one |
| InChI Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1-Methylcyclohexanol, 96%
CAS: 590-67-0 MDL Number: MFCD00003857 InChI Key: VTBOTOBFGSVRMA-UHFFFAOYSA-N Synonym: 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol PubChem CID: 11550 IUPAC Name: 1-methylcyclohexan-1-ol SMILES: CC1(CCCCC1)O
| PubChem CID | 11550 |
|---|---|
| CAS | 590-67-0 |
| MDL Number | MFCD00003857 |
| SMILES | CC1(CCCCC1)O |
| Synonym | 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol |
| IUPAC Name | 1-methylcyclohexan-1-ol |
| InChI Key | VTBOTOBFGSVRMA-UHFFFAOYSA-N |