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

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

CAS No.:
1314710-36-5
Catalog Number:
AG01B59L
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01B59L
Chemical Name:
1-(4-cyanophenyl)cyclobutane-1-carboxylic acid
CAS Number:
1314710-36-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD19698545
IUPAC Name:
1-(4-cyanophenyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c13-8-9-2-4-10(5-3-9)12(11(14)15)6-1-7-12/h2-5H,1,6-7H2,(H,14,15)
InChI Key:
VSJSUZJOUXGAFZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(CCC1)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties