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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 84313Generated: October 26, 2026

Oct-4-enedioic acid

EINECS 238-171-0 · oct-4-enedioic acid · 3,3'-Vinylenedipropanoic acid

https://huagongshe.com/en/chemical/84313

Oct-4-enedioic acid molecular structure

Identifiers & Physical Properties

CAS No.14277-16-8
Molecular formulaC8H12O4
Average molar mass172.18 g/mol
Monoisotopic mass172.07355886 g/mol
SMILESO=C(O)CCC=CCCC(=O)O
InChIKeyLQVYKEXVMZXOAH-UHFFFAOYSA-N
PubChem CID84313
EC No.238-171-0
DTXSIDDTXSID50931638

Chemical & Physical Properties

XLogP0.5
Topological polar surface area74.6
Hydrogen bond donors2
Hydrogen bond acceptors4
Rotatable bonds6
Heavy atoms12
Formal charge0
Complexity163
Melting point175.5-176.5 °C(Solv: water (7732-18-5))
Boiling point373.1±30.0 °C(Predicted)
Density1.200±0.06 g/cm3(Predicted)
pKa (acidity coefficient)4.35±0.10(Predicted)