Home Carboxys 2-Methyl-3-nitro-4-pyridinecarboxylic acid

2-Methyl-3-nitro-4-pyridinecarboxylic acid

CAS No.:
18699-86-0
Catalog Number:
AG00AQS2
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
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Product Description
Catalog Number:
AG00AQS2
Chemical Name:
2-Methyl-3-nitro-4-pyridinecarboxylic acid
CAS Number:
18699-86-0
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD27986906
IUPAC Name:
2-methyl-3-nitropyridine-4-carboxylic acid
InChI:
InChI=1S/C7H6N2O4/c1-4-6(9(12)13)5(7(10)11)2-3-8-4/h2-3H,1H3,(H,10,11)
InChI Key:
YYBWZXYDUSPFHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)nccc1C(=O)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties