Home Carboxys 1-(3-cyanophenyl)cyclobutane-1-carboxylic acid

1-(3-cyanophenyl)cyclobutane-1-carboxylic acid

CAS No.:
1314744-75-6
Catalog Number:
AG01B4YT
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$982
- +
Product Description
Catalog Number:
AG01B4YT
Chemical Name:
1-(3-cyanophenyl)cyclobutane-1-carboxylic acid
CAS Number:
1314744-75-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD19698467
IUPAC Name:
1-(3-cyanophenyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c13-8-9-3-1-4-10(7-9)12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6H2,(H,14,15)
InChI Key:
DMKAIYMQWRFIHE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1(CCC1)C(=O)O
Properties
Complexity:
311  
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