Carbonyl compounds
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Methyl malonyl chloride, 97%
CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.531 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
Benzyl tert-butyl malonate, 95%
CAS: 72594-86-6 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD01075175 InChI Key: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonym: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n PubChem CID: 2736712 IUPAC Name: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 2736712 |
|---|---|
| CAS | 72594-86-6 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD01075175 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n |
| IUPAC Name | 1-O-benzyl 3-O-tert-butyl propanedioate |
| InChI Key | XKXXXODAXXAFNP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
Methyl 2-oxocyclohexanecarboxylate, 90%
CAS: 41302-34-5 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.2 MDL Number: MFCD00077699 InChI Key: JEENWEAPRWGXSG-UHFFFAOYSA-N Synonym: methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u PubChem CID: 170489 IUPAC Name: methyl 2-oxocyclohexane-1-carboxylate SMILES: COC(=O)C1CCCCC1=O
| PubChem CID | 170489 |
|---|---|
| CAS | 41302-34-5 |
| Molecular Weight (g/mol) | 156.2 |
| MDL Number | MFCD00077699 |
| SMILES | COC(=O)C1CCCCC1=O |
| Synonym | methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u |
| IUPAC Name | methyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | JEENWEAPRWGXSG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
Di-tert-butyl malonate, 98%
CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 68324 |
|---|---|
| CAS | 541-16-2 |
| MDL Number | MFCD00008810 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| Synonym | di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate |
| IUPAC Name | ditert-butyl propanedioate |
| InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
Malonic acid dihydrazide, 99%
CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: NNC(=O)CC(=O)NN
| PubChem CID | 77433 |
|---|---|
| CAS | 3815-86-9 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00041268 |
| SMILES | NNC(=O)CC(=O)NN |
| Synonym | malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine |
| IUPAC Name | propanedihydrazide |
| InChI Key | PSIKPHJLTVSQFO-UHFFFAOYSA-N |
| Molecular Formula | C3H8N4O2 |
Diethyl acetone-1,3-dicarboxylate, 96%
CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC
| PubChem CID | 66045 |
|---|---|
| CAS | 105-50-0 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00009200 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| Synonym | diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester |
| IUPAC Name | diethyl 3-oxopentanedioate |
| InChI Key | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5 |
Isopropylmalonic acid, 98+%
CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid PubChem CID: 69037 IUPAC Name: 2-propan-2-ylpropanedioic acid SMILES: CC(C)C(C(O)=O)C(O)=O
| PubChem CID | 69037 |
|---|---|
| CAS | 601-79-6 |
| Molecular Weight (g/mol) | 146.14 |
| MDL Number | MFCD00021717 |
| SMILES | CC(C)C(C(O)=O)C(O)=O |
| Synonym | isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid |
| IUPAC Name | 2-propan-2-ylpropanedioic acid |
| InChI Key | DQEUFPARIOFOAI-UHFFFAOYSA-N |
| Molecular Formula | C6H10O4 |
Mono-Ethyl malonate, 95%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.11 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.11 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
Dibenzyl malonate, 95%
CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonym: dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
| PubChem CID | 84754 |
|---|---|
| CAS | 15014-25-2 |
| Molecular Weight (g/mol) | 284.311 |
| MDL Number | MFCD00004779 |
| SMILES | C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2 |
| Synonym | dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form |
| IUPAC Name | dibenzyl propanedioate |
| InChI Key | RYFCSKVXWRJEOB-UHFFFAOYSA-N |
| Molecular Formula | C17H16O4 |
Diethyl allylmalonate, 96%
CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Ethyl malonyl chloride, 95%
CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O
| PubChem CID | 118931 |
|---|---|
| CAS | 36239-09-5 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000736 |
| SMILES | CCOC(=O)CC(Cl)=O |
| Synonym | ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester |
| IUPAC Name | ethyl 3-chloro-3-oxopropanoate |
| InChI Key | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
Ethyl 2-oxocyclohexanecarboxylate, 95%
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
Monomethyl monopotassium malonate, 98%
CAS: 38330-80-2 Molecular Formula: C4H5O4·K Molecular Weight (g/mol): 156.18 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) | 156.18 |
| 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 | C4H5O4·K |
Diethyl benzylmalonate, 97%
CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
Dimethyl isobutylmalonate, 98%, Thermo Scientific™
CAS: 39520-24-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00015640 InChI Key: GAZFDPSEEIVCEX-UHFFFAOYSA-N Synonym: dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate PubChem CID: 170218 IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate SMILES: COC(=O)C(CC(C)C)C(=O)OC
| PubChem CID | 170218 |
|---|---|
| CAS | 39520-24-6 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00015640 |
| SMILES | COC(=O)C(CC(C)C)C(=O)OC |
| Synonym | dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate |
| IUPAC Name | dimethyl 2-(2-methylpropyl)propanedioate |
| InChI Key | GAZFDPSEEIVCEX-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |