Home Carboxys 2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid hydrochloride

2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid hydrochloride

CAS No.:
1401425-80-6
Catalog Number:
AG01C4YT
Molecular Formula:
C8H12ClNO2
Molecular Weight:
189.6394
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Product Description
Catalog Number:
AG01C4YT
Chemical Name:
2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid hydrochloride
CAS Number:
1401425-80-6
Molecular Formula:
C8H12ClNO2
Molecular Weight:
189.6394
MDL Number:
MFCD22056565
IUPAC Name:
2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H11NO2.ClH/c10-8(11)6-3-5-1-2-7(6)9-4-5;/h1-2,5-7,9H,3-4H2,(H,10,11);1H
InChI Key:
OCGLZOSLIUUWBQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CNC1C=C2.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.639g/mol
Monoisotopic Mass:
189.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties