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Home > Nitro Compounds > 6635-31-0
6635-31-0 | 6-Hydroxy-5-nitronicotinic acid
CAS No: 6635-31-0 Catalog No: AG003N8L MDL No:MFCD02180840
Product Description
Catalog Number:
AG003N8L
Chemical Name:
6-Hydroxy-5-nitronicotinic acid
CAS Number:
6635-31-0
Molecular Formula:
C6H4N2O5
Molecular Weight:
184.1064
MDL Number:
MFCD02180840
IUPAC Name:
5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)
InChI Key:
VJMXJGVEVASJOD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1O)C(=O)O
NSC Number:
52204
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.107g/mol
Monoisotopic Mass:
184.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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