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methyl 3-azabicyclo[3.1.0]hexane-1-carboxylate hydrochloride

methyl 3-azabicyclo[3.1.0]hexane-1-carboxylate hydrochloride

CAS: 1536392-01-4

Formula: C7H12ClNO2

SMILES: Cl.COC(=O)C12CC1CNC2

IUPAC: methyl 3-azabicyclo[3.1.0]hexane-1-carboxylate hydrochloride

InChI: InChI=1/C7H11NO2.ClH/c1-10-6(9)7-2-5(7)3-8-4-7;/h5,8H,2-4H2,1H3;1H

Composition: C (47.33%), H (6.81%), Cl (19.96%), N (7.89%), O (18.01%)

Molar Mass: 177.63

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 177.0556563
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IZYNHGVKCYWCAW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.66
Topological Polar Surface Area 38.33
Polarizability 14.48
Ring Count 2
Rotatable Bond Count 2

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