Home Carboxys 5-carbamoyl-4-methylpyridine-2-carboxylic acid

5-carbamoyl-4-methylpyridine-2-carboxylic acid

CAS No.:
1909314-03-9
Catalog Number:
AG01C1K2
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01C1K2
Chemical Name:
5-carbamoyl-4-methylpyridine-2-carboxylic acid
CAS Number:
1909314-03-9
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD29047342
IUPAC Name:
5-carbamoyl-4-methylpyridine-2-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-4-2-6(8(12)13)10-3-5(4)7(9)11/h2-3H,1H3,(H2,9,11)(H,12,13)
InChI Key:
JEKBVSHYZQJAKB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(c(c1)C)C(=O)N
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties