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116129-07-8 | 2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, hydrochloride (1:1)
CAS No: 116129-07-8 Catalog No: AG000BPR MDL No:MFCD08460278
Product Description
Catalog Number:
AG000BPR
Chemical Name:
2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, hydrochloride (1:1)
CAS Number:
116129-07-8
Molecular Formula:
C6H10ClNO2
Molecular Weight:
163.6021
MDL Number:
MFCD08460278
IUPAC Name:
2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H9NO2.ClH/c8-5(9)6-1-4(2-6)3-7-6;/h4,7H,1-3H2,(H,8,9);1H
InChI Key:
AKMCEJBIZZGMKP-UHFFFAOYSA-N
SMILES:
OC(=O)C12NCC(C1)C2.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.601g/mol
Monoisotopic Mass:
163.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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