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30235-16-6 | 2-Pyridinecarboxylic acid, 6-methyl-4-nitro-
CAS No: 30235-16-6 Catalog No: AG002ZCE MDL No:MFCD06637450
Product Description
Catalog Number:
AG002ZCE
Chemical Name:
2-Pyridinecarboxylic acid, 6-methyl-4-nitro-
CAS Number:
30235-16-6
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD06637450
IUPAC Name:
6-methyl-4-nitropyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O4/c1-4-2-5(9(12)13)3-6(8-4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
ZTEYOLHGMGAMGQ-UHFFFAOYSA-N
SMILES:
Cc1nc(cc(c1)[N+](=O)[O-])C(=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:
0.9
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