Home Carboxys 2'-Cyanobiphenyl-3-carboxylic acid

2'-Cyanobiphenyl-3-carboxylic acid

CAS No.:
893736-75-9
Catalog Number:
AG003WXY
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003WXY
Chemical Name:
2'-Cyanobiphenyl-3-carboxylic acid
CAS Number:
893736-75-9
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD06802573
IUPAC Name:
3-(2-cyanophenyl)benzoic acid
InChI:
InChI=1S/C14H9NO2/c15-9-12-4-1-2-7-13(12)10-5-3-6-11(8-10)14(16)17/h1-8H,(H,16,17)
InChI Key:
VRVHOPQLBGJNCG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cccc(c1)C(=O)O
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties