Organooxygen compounds
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3-Fluoro-4-pyridinecarboxaldehyde, 97%
CAS: 40273-47-0 Molecular Formula: C6H4FNO Molecular Weight (g/mol): 125.10 MDL Number: MFCD06410686 InChI Key: KLKQXQXSZCNWLZ-UHFFFAOYSA-N Synonym: 3-fluoroisonicotinaldehyde,3-fluoropyridine-4-carboxaldehyde,3-fluoro-4-formylpyridine,3-fluoro-4-pyridinecarboxaldehyde,4-pyridinecarboxaldehyde, 3-fluoro,3-fluoro-pyridine-4-carbaldehyde,3-fluoro-4-pyridinecarbaldehyde,brettphospd,pubchem5137,acmc-20a1qb PubChem CID: 2763003 IUPAC Name: 3-fluoropyridine-4-carbaldehyde SMILES: FC1=C(C=O)C=CN=C1
| PubChem CID | 2763003 |
|---|---|
| CAS | 40273-47-0 |
| Molecular Weight (g/mol) | 125.10 |
| MDL Number | MFCD06410686 |
| SMILES | FC1=C(C=O)C=CN=C1 |
| Synonym | 3-fluoroisonicotinaldehyde,3-fluoropyridine-4-carboxaldehyde,3-fluoro-4-formylpyridine,3-fluoro-4-pyridinecarboxaldehyde,4-pyridinecarboxaldehyde, 3-fluoro,3-fluoro-pyridine-4-carbaldehyde,3-fluoro-4-pyridinecarbaldehyde,brettphospd,pubchem5137,acmc-20a1qb |
| IUPAC Name | 3-fluoropyridine-4-carbaldehyde |
| InChI Key | KLKQXQXSZCNWLZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO |
Oleyl alcohol, ca. 60%, technical
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: (9Z)-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 | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO·ClH |
cis-1,2-Cyclohexanediol, 99%
CAS: 1792-81-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00064944 InChI Key: PFURGBBHAOXLIO-OLQVQODUSA-N Synonym: cis-1,2-cyclohexanediol,cis-cyclohexane-1,2-diol,grandidentol,cis-1,2-dihydroxycyclohexane,1r,2s-cyclohexane-1,2-diol,1,2-cyclohexanediol, cis,1,2-cyclohexanediol, cis-8ci 9ci,1,2-cyclohexanediol, 1r,2s-rel,cis-1,2-cyclohexandiol,1alpha,2alpha-cyclohexanediol PubChem CID: 92903 ChEBI: CHEBI:32329 IUPAC Name: (1R,2S)-cyclohexane-1,2-diol SMILES: C1CCC(C(C1)O)O
| PubChem CID | 92903 |
|---|---|
| CAS | 1792-81-0 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:32329 |
| MDL Number | MFCD00064944 |
| SMILES | C1CCC(C(C1)O)O |
| Synonym | cis-1,2-cyclohexanediol,cis-cyclohexane-1,2-diol,grandidentol,cis-1,2-dihydroxycyclohexane,1r,2s-cyclohexane-1,2-diol,1,2-cyclohexanediol, cis,1,2-cyclohexanediol, cis-8ci 9ci,1,2-cyclohexanediol, 1r,2s-rel,cis-1,2-cyclohexandiol,1alpha,2alpha-cyclohexanediol |
| IUPAC Name | (1R,2S)-cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-OLQVQODUSA-N |
| Molecular Formula | C6H12O2 |
2'-Fluoro-4'-methoxyacetophenone, 99%, Thermo Scientific™
CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1
| PubChem CID | 592821 |
|---|---|
| CAS | 74457-86-6 |
| Molecular Weight (g/mol) | 168.17 |
| MDL Number | MFCD00042290 |
| SMILES | COC1=CC=C(C(C)=O)C(F)=C1 |
| Synonym | 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 |
| IUPAC Name | 1-(2-fluoro-4-methoxyphenyl)ethanone |
| InChI Key | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
4-Bromo-1-butanol, 85+%
CAS: 33036-62-3 Molecular Formula: C4H9BrO Molecular Weight (g/mol): 153.02 MDL Number: MFCD00015387 InChI Key: SIJLYRDVTMMSIP-UHFFFAOYSA-N Synonym: 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv PubChem CID: 118388 IUPAC Name: 4-bromobutan-1-ol SMILES: C(CCBr)CO
| PubChem CID | 118388 |
|---|---|
| CAS | 33036-62-3 |
| Molecular Weight (g/mol) | 153.02 |
| MDL Number | MFCD00015387 |
| SMILES | C(CCBr)CO |
| Synonym | 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv |
| IUPAC Name | 4-bromobutan-1-ol |
| InChI Key | SIJLYRDVTMMSIP-UHFFFAOYSA-N |
| Molecular Formula | C4H9BrO |
4,4'-Bis(dimethylamino)benzil, 98%
CAS: 17078-27-2 Molecular Formula: C18H20N2O2 Molecular Weight (g/mol): 296.36 InChI Key: AVFUVYIDYFXFSX-UHFFFAOYSA-N Synonym: 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone PubChem CID: 222570 IUPAC Name: 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione SMILES: CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C
| PubChem CID | 222570 |
|---|---|
| CAS | 17078-27-2 |
| Molecular Weight (g/mol) | 296.36 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone |
| IUPAC Name | 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione |
| InChI Key | AVFUVYIDYFXFSX-UHFFFAOYSA-N |
| Molecular Formula | C18H20N2O2 |
2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 936250-17-8 Molecular Formula: C12H19BN2O4 Molecular Weight (g/mol): 266.10 MDL Number: MFCD06795654 InChI Key: RKHZHTLJEUBARP-UHFFFAOYSA-N Synonym: 2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid pinacol ester,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid, pinacol ester,2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrimidine,2,4-dimethoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronicacidpinacolester,2,4-dimethoxyprimidine-5-boronic acid pinacol ester,2,6-dimethoxypyrimidine-5-boronic acid, pinacol ester PubChem CID: 16218388 IUPAC Name: 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine SMILES: COC1=NC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1
| PubChem CID | 16218388 |
|---|---|
| CAS | 936250-17-8 |
| Molecular Weight (g/mol) | 266.10 |
| MDL Number | MFCD06795654 |
| SMILES | COC1=NC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1 |
| Synonym | 2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid pinacol ester,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid, pinacol ester,2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrimidine,2,4-dimethoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronicacidpinacolester,2,4-dimethoxyprimidine-5-boronic acid pinacol ester,2,6-dimethoxypyrimidine-5-boronic acid, pinacol ester |
| IUPAC Name | 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI Key | RKHZHTLJEUBARP-UHFFFAOYSA-N |
| Molecular Formula | C12H19BN2O4 |
3-Phenylpropionaldehyde, 95%
CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00007021 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
Diethoxymethane, 99%, pure, stabilized
CAS: 462-95-3 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00009246 InChI Key: KLKFAASOGCDTDT-UHFFFAOYSA-N Synonym: diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene PubChem CID: 10024 IUPAC Name: ethoxymethoxyethane SMILES: CCOCOCC
| PubChem CID | 10024 |
|---|---|
| CAS | 462-95-3 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00009246 |
| SMILES | CCOCOCC |
| Synonym | diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene |
| IUPAC Name | ethoxymethoxyethane |
| InChI Key | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
(S)-(+)-2-Methoxypropanol, 97%
CAS: 116422-39-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD01632593 InChI Key: YTTFFPATQICAQN-BYPYZUCNSA-N Synonym: 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s PubChem CID: 642402 IUPAC Name: (2S)-2-methoxypropan-1-ol SMILES: CC(CO)OC
| PubChem CID | 642402 |
|---|---|
| CAS | 116422-39-0 |
| Molecular Weight (g/mol) | 90.12 |
| MDL Number | MFCD01632593 |
| SMILES | CC(CO)OC |
| Synonym | 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s |
| IUPAC Name | (2S)-2-methoxypropan-1-ol |
| InChI Key | YTTFFPATQICAQN-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
(R)-(-)-1-Methoxy-2-propanol, 98+%
CAS: 4984-22-9 MDL Number: MFCD01632587 InChI Key: ARXJGSRGQADJSQ-SCSAIBSYSA-N Synonym: r---1-methoxy-2-propanol,2r-1-methoxypropan-2-ol,r-1-methoxypropan-2-ol,r-1-methoxy-2-propanol,r-1-methoxy-propan-2-ol,2-propanol, 1-methoxy-, 2r,20s-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol,pubchem6714,r-methoxy-propan-2-ol PubChem CID: 2733589 IUPAC Name: (2R)-1-methoxypropan-2-ol SMILES: CC(COC)O
| PubChem CID | 2733589 |
|---|---|
| CAS | 4984-22-9 |
| MDL Number | MFCD01632587 |
| SMILES | CC(COC)O |
| Synonym | r---1-methoxy-2-propanol,2r-1-methoxypropan-2-ol,r-1-methoxypropan-2-ol,r-1-methoxy-2-propanol,r-1-methoxy-propan-2-ol,2-propanol, 1-methoxy-, 2r,20s-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol,pubchem6714,r-methoxy-propan-2-ol |
| IUPAC Name | (2R)-1-methoxypropan-2-ol |
| InChI Key | ARXJGSRGQADJSQ-SCSAIBSYSA-N |
2-Hydroxyethyl stearate
CAS: 111-60-4 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.53 MDL Number: MFCD00051465 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N Synonym: glycol stearate,cremophor a,2-hydroxyethyl stearate,polyethylene glycol monostearate,ethylene glycol monostearate,cerasynt m,clearate g,cerasynt mn,cithrol ps,polyoxyl 40 stearate PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 111-60-4 |
| Molecular Weight (g/mol) | 328.53 |
| MDL Number | MFCD00051465 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| Synonym | glycol stearate,cremophor a,2-hydroxyethyl stearate,polyethylene glycol monostearate,ethylene glycol monostearate,cerasynt m,clearate g,cerasynt mn,cithrol ps,polyoxyl 40 stearate |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
4-Acetylbenzenesulfonyl chloride, 97%
CAS: 1788-10-9 Molecular Formula: C8H7ClO3S Molecular Weight (g/mol): 218.65 MDL Number: MFCD00800269 InChI Key: FXVDNCRTKXMSEZ-UHFFFAOYSA-N Synonym: 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride PubChem CID: 266418 IUPAC Name: 4-acetylbenzenesulfonyl chloride SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
| PubChem CID | 266418 |
|---|---|
| CAS | 1788-10-9 |
| Molecular Weight (g/mol) | 218.65 |
| MDL Number | MFCD00800269 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
| Synonym | 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride |
| IUPAC Name | 4-acetylbenzenesulfonyl chloride |
| InChI Key | FXVDNCRTKXMSEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3S |
Ethyl isobutyrylacetate, 95%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |