(E)-4-(Diethoxyphosphoryl)but-2-enoic acid

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Basic information

Standard SMILES: CCOP(=O)(C/C=C/C(=O)O)OCC
InChIKey: DUOCVKUEFFJUAV-AATRIKPKSA-N
Molecular formula: C8H15O5P
Average molar mass: 222.18 g/mol
Monoisotopic mass: 222.06571057

Names & identifiers

Preferred name: (E)-4-(Diethoxyphosphoryl)but-2-enoic acid
IUPAC: (E)-4-diethoxyphosphorylbut-2-enoic acid

Names & synonyms

(E)-4-(Diethoxyphosphoryl)but-2-enoic acid79563-56-74-diethylphosphonocrotonic acidSCHEMBL1933026DUOCVKUEFFJUAV-AATRIKPKSA-NAKOS024365355(2E)-4-(diethoxycarbonyl)but-2-enoic acidCS-0459894ST50998298

Database identifiers

PubChem CID: 6285301
Nikkaji: J267.451C

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 238

Related reactions

2 records

New reaction record

HRID 333041As productuspto-grants-2014_11

HRID 333042As reactantuspto-grants-2014_11

Compound notes

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