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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13816005Generated: October 23, 2026

1-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

https://huagongshe.com/en/chemical/13816005

1-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one molecular structure

Identifiers & Physical Properties

CAS No.89082-07-5
Molecular formulaC11H11N3O2
Average molar mass217.22 g/mol
Monoisotopic mass217.08512659 g/mol
SMILESCOc1ccc(C(=O)Cn2cncn2)cc1
InChIKeyVIEZOAOPEPPATJ-UHFFFAOYSA-N
PubChem CID13816005
DTXSIDDTXSID20550411

Chemical & Physical Properties

XLogP1.5
Topological polar surface area57
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms16
Formal charge0
Complexity239