Organooxygen compounds
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1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
2-(4-Methoxybenzoyl)thiophene, 97%
CAS: 4160-63-8 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00005440 InChI Key: KYVBFEMQEUXVQB-UHFFFAOYSA-N Synonym: 2-4-methoxybenzoyl thiophene,4-methoxyphenyl thiophen-2-yl methanone,2-p-methoxybenzoyl thiophene,p-anisyl thiophen-2-yl ketone,4-methoxyphenyl 2-thienyl ketone,methanone, 4-methoxyphenyl-2-thienyl,4-methoxyphenyl 2-thienyl methanone,pubchem10833,acmc-1aikh,2-thienyl p-anisyl ketone PubChem CID: 77812 IUPAC Name: (4-methoxyphenyl)-thiophen-2-ylmethanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CS2
| PubChem CID | 77812 |
|---|---|
| CAS | 4160-63-8 |
| Molecular Weight (g/mol) | 218.27 |
| MDL Number | MFCD00005440 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| Synonym | 2-4-methoxybenzoyl thiophene,4-methoxyphenyl thiophen-2-yl methanone,2-p-methoxybenzoyl thiophene,p-anisyl thiophen-2-yl ketone,4-methoxyphenyl 2-thienyl ketone,methanone, 4-methoxyphenyl-2-thienyl,4-methoxyphenyl 2-thienyl methanone,pubchem10833,acmc-1aikh,2-thienyl p-anisyl ketone |
| IUPAC Name | (4-methoxyphenyl)-thiophen-2-ylmethanone |
| InChI Key | KYVBFEMQEUXVQB-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2S |
4-Methoxypyridine, 98+%
CAS: 620-08-6 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00674049 InChI Key: XQABVLBGNWBWIV-UHFFFAOYSA-N Synonym: pyridine, 4-methoxy,methyl pyridin-4-yl ether,4-methoxy pyridine,.gamma.-methoxypyridine,4-methoxypyridin,4-methoxypyrdine,4-methoxylpyridine,4-methoxy-pyridine,4-methoxypyridine,pubchem2585 PubChem CID: 69278 IUPAC Name: 4-methoxypyridine SMILES: COC1=CC=NC=C1
| PubChem CID | 69278 |
|---|---|
| CAS | 620-08-6 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00674049 |
| SMILES | COC1=CC=NC=C1 |
| Synonym | pyridine, 4-methoxy,methyl pyridin-4-yl ether,4-methoxy pyridine,.gamma.-methoxypyridine,4-methoxypyridin,4-methoxypyrdine,4-methoxylpyridine,4-methoxy-pyridine,4-methoxypyridine,pubchem2585 |
| IUPAC Name | 4-methoxypyridine |
| InChI Key | XQABVLBGNWBWIV-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
trans-4-Aminocyclohexanol, 98+%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00067698 InChI Key: IMLXLGZJLAOKJN-UHFFFAOYSA-N Synonym: trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 PubChem CID: 81293 IUPAC Name: 4-aminocyclohexan-1-ol SMILES: C1CC(CCC1N)O
| PubChem CID | 81293 |
|---|---|
| CAS | 27489-62-9 |
| Molecular Weight (g/mol) | 115.176 |
| MDL Number | MFCD00067698 |
| SMILES | C1CC(CCC1N)O |
| Synonym | trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 |
| IUPAC Name | 4-aminocyclohexan-1-ol |
| InChI Key | IMLXLGZJLAOKJN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride, ≥95%, Thermo Scientific™
CAS: 175277-40-4 Molecular Formula: C5H7ClN2O Molecular Weight (g/mol): 146.574 MDL Number: MFCD00204160 InChI Key: MTFWBEDWXAHBNR-UHFFFAOYSA-N Synonym: 1-1h-pyrazol-5-yl ethan-1-one hydrochloride,1-1h-pyrazol-5-yl ethanone hydrochloride,1-1h-pyrazol-3-yl ethanone hydrochloride,1-2h-pyrazol-3-yl ethanone hydrochloride,5-acetyl-1h-pyrazole hydrochloride,5-acetylpyrazole, chloride,3-acetylpyrazole hydrochloride,5-acetylpyrazole hydrochloride,1-1h-pyrazol-5-yl-1-ethanone hydrochloride,1-1h-pyrazole-5-yl ethan-1-one hydrochloride PubChem CID: 2799623 IUPAC Name: 1-(1H-pyrazol-5-yl)ethanone;hydrochloride SMILES: CC(=O)C1=CC=NN1.Cl
| PubChem CID | 2799623 |
|---|---|
| CAS | 175277-40-4 |
| Molecular Weight (g/mol) | 146.574 |
| MDL Number | MFCD00204160 |
| SMILES | CC(=O)C1=CC=NN1.Cl |
| Synonym | 1-1h-pyrazol-5-yl ethan-1-one hydrochloride,1-1h-pyrazol-5-yl ethanone hydrochloride,1-1h-pyrazol-3-yl ethanone hydrochloride,1-2h-pyrazol-3-yl ethanone hydrochloride,5-acetyl-1h-pyrazole hydrochloride,5-acetylpyrazole, chloride,3-acetylpyrazole hydrochloride,5-acetylpyrazole hydrochloride,1-1h-pyrazol-5-yl-1-ethanone hydrochloride,1-1h-pyrazole-5-yl ethan-1-one hydrochloride |
| IUPAC Name | 1-(1H-pyrazol-5-yl)ethanone;hydrochloride |
| InChI Key | MTFWBEDWXAHBNR-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN2O |
7-Bromo-3,4-dihydro-1,5-benzodioxepin, 96%
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
| PubChem CID | 2776394 |
|---|---|
| CAS | 147644-11-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00508291 |
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | AZCHNKNSOZJHSH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
3'-Methoxyacetophenone, 97%
CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
p-Nitroacetophenone, 97%
CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7487 |
|---|---|
| CAS | 100-19-6 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:28735 |
| MDL Number | MFCD00007355 |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap |
| IUPAC Name | 1-(4-nitrophenyl)ethanone |
| InChI Key | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
Methyl 2-oxocyclopentanecarboxylate, 97%
CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O
| PubChem CID | 66328 |
|---|---|
| CAS | 10472-24-9 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00001411 |
| SMILES | COC(=O)C1CCCC1=O |
| Synonym | methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane |
| IUPAC Name | methyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | PZBBESSUKAHBHD-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Dimethyl allylmalonate, 97%
CAS: 40637-56-7 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00014959 InChI Key: VZNFVLWVVHHMBG-UHFFFAOYSA-N Synonym: dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester PubChem CID: 574826 IUPAC Name: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC
| PubChem CID | 574826 |
|---|---|
| CAS | 40637-56-7 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00014959 |
| SMILES | COC(=O)C(CC=C)C(=O)OC |
| Synonym | dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester |
| IUPAC Name | dimethyl 2-prop-2-enylpropanedioate |
| InChI Key | VZNFVLWVVHHMBG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Acetylacetaldehyde dimethyl acetal, 92%
CAS: 5436-21-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00008789 InChI Key: PJCCSZUMZMCWSX-UHFFFAOYSA-N Synonym: 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal PubChem CID: 228548 IUPAC Name: 4,4-dimethoxybutan-2-one SMILES: COC(CC(C)=O)OC
| PubChem CID | 228548 |
|---|---|
| CAS | 5436-21-5 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00008789 |
| SMILES | COC(CC(C)=O)OC |
| Synonym | 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal |
| IUPAC Name | 4,4-dimethoxybutan-2-one |
| InChI Key | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
(+/-)-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
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 |
3-(1H-Pyrazol-1-yl)benzaldehyde, ≥97%, Thermo Scientific™
CAS: 852227-92-0 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 MDL Number: MFCD06740321 InChI Key: NKFXXJOWQSOGOF-UHFFFAOYSA-N PubChem CID: 7172309 IUPAC Name: 3-pyrazol-1-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)N2C=CC=N2)C=O
| PubChem CID | 7172309 |
|---|---|
| CAS | 852227-92-0 |
| Molecular Weight (g/mol) | 172.187 |
| MDL Number | MFCD06740321 |
| SMILES | C1=CC(=CC(=C1)N2C=CC=N2)C=O |
| IUPAC Name | 3-pyrazol-1-ylbenzaldehyde |
| InChI Key | NKFXXJOWQSOGOF-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O |
3-Bromo-1-propanol, 92%
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 |