Home Other Building Blocks 2-{2-azabicyclo[2.1.1]hexan-1-yl}acetic acid hydrochloride

2-{2-azabicyclo[2.1.1]hexan-1-yl}acetic acid hydrochloride

CAS No.:
637740-18-2
Catalog Number:
AG01B99B
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG01B99B
Chemical Name:
2-{2-azabicyclo[2.1.1]hexan-1-yl}acetic acid hydrochloride
CAS Number:
637740-18-2
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD28348295
IUPAC Name:
2-(2-azabicyclo[2.1.1]hexan-1-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c9-6(10)3-7-1-5(2-7)4-8-7;/h5,8H,1-4H2,(H,9,10);1H
InChI Key:
ROAUEVCNAOGXHM-UHFFFAOYSA-N
SMILES:
OC(=O)CC12NCC(C1)C2.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties