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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86176913Generated: October 23, 2026

3,5-Dimethyl-4-(1H-pyrrol-1-yl)benzoic acid

https://huagongshe.com/en/chemical/86176913

3,5-Dimethyl-4-(1H-pyrrol-1-yl)benzoic acid molecular structure

Identifiers & Physical Properties

CAS No.157069-53-9
Molecular formulaC13H13NO2
Average molar mass215.25 g/mol
Monoisotopic mass215.09462866 g/mol
SMILESCc1cc(C(=O)O)cc(C)c1-n1cccc1
InChIKeyDSDUXYFWLQQAKB-UHFFFAOYSA-N
PubChem CID86176913
DTXSIDDTXSID701264111

Chemical & Physical Properties

XLogP2.6
Topological polar surface area42.2
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds2
Heavy atoms16
Formal charge0
Complexity249