Home Other Building Blocks 6-cyano-5-methylnicotinic acid

6-cyano-5-methylnicotinic acid

CAS No.:
1360953-72-5
Catalog Number:
AG01EKL8
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKL8
Chemical Name:
6-cyano-5-methylnicotinic acid
CAS Number:
1360953-72-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD28780620
IUPAC Name:
6-cyano-5-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c1-5-2-6(8(11)12)4-10-7(5)3-9/h2,4H,1H3,(H,11,12)
InChI Key:
FAMBJGGXXNEVAR-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1C)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:
1  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties