Home Carboxys 1-(4-cyanophenyl)cyclopentane-1-carboxylic acid

1-(4-cyanophenyl)cyclopentane-1-carboxylic acid

CAS No.:
135569-29-8
Catalog Number:
AG01BVM0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01BVM0
Chemical Name:
1-(4-cyanophenyl)cyclopentane-1-carboxylic acid
CAS Number:
135569-29-8
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD01012886
IUPAC Name:
1-(4-cyanophenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,15,16)
InChI Key:
PMILUQHECXXKGR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(CCCC1)C(=O)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties