Molecule ID: 5355863

IUPAC Name: methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate

Description: The molecule is a dialkyl phosphate and an organophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical and an avicide. It derives from a methyl 3-hydroxybut-2-enoate.

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

SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]

InChI: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+

Molecular Properties:
- Polar Surface Area: 71.1 Ų
- LogP: 1.2