3-azabicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

3-azabicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

CAS: 1212105-25-3

Formula: C6H10ClNO2

SMILES: Cl.OC(=O)C1C2CNCC12

IUPAC: 3-azabicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

InChI: InChI=1/C6H9NO2.ClH/c8-6(9)5-3-1-7-2-4(3)5;/h3-5,7H,1-2H2,(H,8,9);1H

Composition: C (44.05%), H (6.16%), Cl (21.67%), N (8.56%), O (19.56%)

Molar Mass: 163.6

Atom Count: 20

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	163.0400063
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KDPCJMUQSXUTHG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.01
Topological Polar Surface Area	49.33
Polarizability	12.41
Ring Count	2
Rotatable Bond Count	1

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Crea-Chim UAB

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