Molecule ID: 21158529

IUPAC Name: (E)-2-(2-methoxy-2-oxoethyl)but-2-enedioate

Description: The molecule is dianion of (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid arising from deprotonation of both carboxylic acid functions. It is a conjugate base of a (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid.

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-1][C][=Branch1][C][=O][O-1]

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)/p-2/b4-2+

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 0.7