| 2D Structure | |
| CID | 7943 |
| Target | CYP2C19 , CYP3A4 , NR1I2 |
| IUPAC Name | dimethyl propanedioate |
| InChI | InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3 |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)CC(=O)OC |
| Isomeric SMILES | COC(=O)CC(=O)OC |
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.11 |
| synonyms | ['Dimethyl malonate', '108-59-8', 'Dimethyl propanedioate', 'Methyl malonate', 'Dimethylmalonate', 'Propanedioic acid, dimethyl ester', 'Dimethyl 1,3-propanedioate', 'CCRIS 8981', 'EINECS 203-597-8', 'UNII-EM8Y79998C', 'DTXSID4029145', 'METHYL MALONATE [MI]', 'Dimethyl ester of malonic acid', 'DTXCID309145', 'EC 203-597-8', 'Dimethyl 1,3propanedioate', 'Propanedioic acid, 1,3dimethyl ester', 'PROPANEDIOIC ACID,DIMETHYL ESTER (MALONIC ACID,DIMETHYL ESTER)', '203-597-8', 'bepafcgsdwstel-uhfffaoysa-n', 'dimethyl malonic acid', 'inchi=1/c5h8o4/c1-8-4(6)3-5(7)9-2/h3h2,1-2h', 'Malonic Acid Dimethyl Ester', '1,3-dimethyl propanedioate', 'MALONIC ACID, DIMETHYL ESTER', 'EM8Y79998C', 'CAS-108-59-8', 'MFCD00008460', 'Malonic acid-dimethyl ester', 'MALONIC ACID DIMETHYL ESTER (1,1,1,7,7,7-D6)', 'propanedioic acid dimethyl ester', 'Dimethyl malonate, 98%', 'malonic acid dimethylester', 'CH2(COOMe)2', 'SCHEMBL53913', 'CH2(CO2CH3)2', 'CHEMBL1986332', 'HY-Y1787', 'STR00450', 'Tox21_201608', 'Tox21_300375', 'BBL011438', 'NSC620046', 'STL146546', 'Dimethyl malonate, analytical standard', 'AKOS001426594', 'NSC-620046', 'Propanedioic acid, 1,3-dimethyl ester', 'NCGC00248011-01', 'NCGC00248011-02', 'NCGC00254271-01', 'NCGC00259157-01', 'BP-31034', 'DA-52562', 'NCI60_005924', 'CS-0019394', 'Dimethyl malonate, purum, >=96.0% (GC)', 'M0030', 'NS00006418', 'EN300-15469', 'D72530', 'Dimethyl malonate, Vetec(TM) reagent grade, 98%', 'Q4263082', 'Z18909219', 'F0001-0174', 'PROPANEDIOIC ACID,DIMETHYL ESTER (MALONIC ACID,DIMETHYL ESTER)', '75238-25-4'] |
From Pubchem