Home Carboxys 2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, hydrochloride , (1S,3R,4R)-

2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, hydrochloride , (1S,3R,4R)-

CAS No.:
448949-66-4
Catalog Number:
AG00DOT9
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG00DOT9
Chemical Name:
2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, hydrochloride , (1S,3R,4R)-
CAS Number:
448949-66-4
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
IUPAC Name:
(1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c9-7(10)6-4-1-2-5(3-4)8-6;/h4-6,8H,1-3H2,(H,9,10);1H/t4-,5+,6-;/m1./s1
InChI Key:
WUKAJPOKLIRLLD-KJESCUSBSA-N
SMILES:
OC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2.Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
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:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties