1-azabicyclo[2.2.2]octane-2-carboxylic acid hydrochloride

1-azabicyclo[2.2.2]octane-2-carboxylic acid hydrochloride

CAS: 52601-23-7

Formula: C8H14ClNO2

SMILES: Cl.OC(=O)C1CC2CCN1CC2

IUPAC: 1-azabicyclo[2.2.2]octane-2-carboxylic acid hydrochloride

InChI: InChI=1/C8H13NO2.ClH/c10-8(11)7-5-6-1-3-9(7)4-2-6;/h6-7H,1-5H2,(H,10,11);1H

Composition: C (50.14%), H (7.36%), Cl (18.50%), N (7.31%), O (16.70%)

Molar Mass: 191.66

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	191.0713064
Formal Charge	0
FSP3	0.87
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JOIJZJVAIURHGA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.78
Topological Polar Surface Area	40.54
Polarizability	16.07
Ring Count	2
Rotatable Bond Count	1

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