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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16637570Generated: November 1, 2026

5-(4-Methylbenzyl)-2-furoic acid

5-(4-Methylbenzyl)-2-furoic acid · 5-[(4-methylphenyl)methyl]furan-2-carboxylic acid · 5-[(4-methylphenyl)methyl]-2-furancarboxylic acid · 2-furancarboxylic acid, 5-[(4-methylphenyl)methyl]-

https://huagongshe.com/en/chemical/16637570

5-(4-Methylbenzyl)-2-furoic acid molecular structure

Identifiers & Physical Properties

CAS No.4664-45-3
Molecular formulaC13H12O3
Average molar mass216.23 g/mol
Monoisotopic mass216.07864424 g/mol
SMILESCc1ccc(Cc2ccc(C(=O)O)o2)cc1
InChIKeyZKUZBZHMUKAZDY-UHFFFAOYSA-N
PubChem CID16637570
DTXSIDDTXSID50586248

Chemical & Physical Properties

XLogP3.2
Topological polar surface area50.4
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms16
Formal charge0
Complexity244
Melting point110-112 °C(Solv: benzene (71-43-2)ligroine (8032-32-4))
Boiling point373.0±30.0 °C(Predicted)
Density1.198±0.06 g/cm3(Predicted)
pKa (acidity coefficient)3.32±0.10(Predicted)