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100367-58-6 | 3-Pyridinecarboxylic acid, 4-nitro-
CAS No: 100367-58-6 Catalog No: AG0001QO MDL No:MFCD04114250
Product Description
Catalog Number:
AG0001QO
Chemical Name:
3-Pyridinecarboxylic acid, 4-nitro-
CAS Number:
100367-58-6
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD04114250
IUPAC Name:
4-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-6(10)4-3-7-2-1-5(4)8(11)12/h1-3H,(H,9,10)
InChI Key:
HTXUFXWKAMQHDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccncc1C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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