Molecule ID: 5281932

IUPAC Name: (E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid

Description: The molecule is the 2-(methoxycarbonylmethyl) derivative of fumaric acid. It is a dicarboxylic acid and a methyl ester. It derives from a fumaric acid. It is a conjugate acid of a (2E)-2-(methoxycarbonylmethyl)but-2-enedioate(2-).

SMILES: COC(=O)C/C(=C\C(=O)O)C(=O)O

SELFIES: [C][O][C][=Branch1][C][=O][C][/C][=Branch1][#Branch1][=C][\C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -0.6