Home Carboxys 1-(pyridin-4-yl)bicyclo[2.1.1]hexane-5-carboxylic acid hydrochloride

1-(pyridin-4-yl)bicyclo[2.1.1]hexane-5-carboxylic acid hydrochloride

CAS No.:
2138164-57-3
Catalog Number:
AG01EKYE
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
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Product Description
Catalog Number:
AG01EKYE
Chemical Name:
1-(pyridin-4-yl)bicyclo[2.1.1]hexane-5-carboxylic acid hydrochloride
CAS Number:
2138164-57-3
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD31448757
IUPAC Name:
1-pyridin-4-ylbicyclo[2.1.1]hexane-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H13NO2.ClH/c14-11(15)10-8-1-4-12(10,7-8)9-2-5-13-6-3-9;/h2-3,5-6,8,10H,1,4,7H2,(H,14,15);1H
InChI Key:
OHNXBQQMXGPOFR-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2CCC1(C2)c1ccncc1.Cl
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties