Home Other Building Blocks 2-Amino-4-cyanobenzoic acid

2-Amino-4-cyanobenzoic acid

CAS No.:
64630-00-8
Catalog Number:
AG00ELD7
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ELD7
Chemical Name:
2-Amino-4-cyanobenzoic acid
CAS Number:
64630-00-8
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD20638913
IUPAC Name:
2-amino-4-cyanobenzoic acid
InChI:
InChI=1S/C8H6N2O2/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3H,10H2,(H,11,12)
InChI Key:
LTYSISNGLCCCBW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties