BRN 5753212

2-(1,3-benzodioxol-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one

CAS: 111896-96-9

Molecular Formula	`C15H17NO3`
Molecular Weight	259.3 g/mol
LogP	2.1
Topological Polar Surface Area	38.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	259.12085
Heavy Atoms	19
Complexity	364.0

Chemical Identifiers

CAS Number	111896-96-9
SMILES	`C1CN2CCC1C(=O)C2CC3=CC4=C(C=C3)OCO4`
InChIKey	`WLBOKVAHWFVTCP-UHFFFAOYSA-N`

📖 Product Overview

BRN 5753212 (CAS: 111896-96-9) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.3 g/mol. Its IUPAC systematic name is 2-(1,3-benzodioxol-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one. LogP 2.1 Topological Polar Surface Area 38.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 259.12085 Heavy Atoms 19 Complexity 364.0 InChI Key: WLBOKVAHWFVTCP-UHFFFAOYSA-N. SMILES: C1CN2CCC1C(=O)C2CC3=CC4=C(C=C3)OCO4.

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