Home Carboxys 2-​Azabicyclo[4.1.0]​heptane-​1-​carboxylic acid, hydrochloride (1:1)

2-​Azabicyclo[4.1.0]​heptane-​1-​carboxylic acid, hydrochloride (1:1)

CAS No.:
1628734-73-5
Catalog Number:
AG00ILAV
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG00ILAV
Chemical Name:
2-​Azabicyclo[4.1.0]​heptane-​1-​carboxylic acid, hydrochloride (1:1)
CAS Number:
1628734-73-5
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
IUPAC Name:
2-azabicyclo[4.1.0]heptane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c9-6(10)7-4-5(7)2-1-3-8-7;/h5,8H,1-4H2,(H,9,10);1H
InChI Key:
KMOPZLUEJMECES-UHFFFAOYSA-N
SMILES:
OC(=O)C12NCCCC2C1.Cl
Properties
Complexity:
180  
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:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties