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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53675Generated: October 30, 2026

9-Hydroxycinchonan-6'-yl benzoate

[4-[(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-hydroxy-methyl]quinolin-6- yl] benzoate

https://huagongshe.com/en/chemical/53675

9-Hydroxycinchonan-6'-yl benzoate molecular structure

Identifiers & Physical Properties

CAS No.77539-57-2
Molecular formulaC26H26N2O3
Average molar mass414.5 g/mol
Monoisotopic mass414.1943427 g/mol
SMILESC=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC(=O)c3ccccc3)cc12
InChIKeyRMIORKZWPHXLKV-UHFFFAOYSA-N
PubChem CID53675
DTXSIDDTXSID70998748

Chemical & Physical Properties

XLogP4.3
Topological polar surface area62.7
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds6
Heavy atoms31
Formal charge0
Complexity649