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Home > Nitro Compounds > 31872-57-8
31872-57-8 | 4-HYDROXY-3-NITROPYRIDINE N-OXIDE
CAS No: 31872-57-8 Catalog No: AG003LIB MDL No:MFCD00234062
Product Description
Catalog Number:
AG003LIB
Chemical Name:
4-HYDROXY-3-NITROPYRIDINE N-OXIDE
CAS Number:
31872-57-8
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
MDL Number:
MFCD00234062
IUPAC Name:
1-hydroxy-3-nitropyridin-4-one
InChI:
InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,9H
InChI Key:
QDIJYPHBWUDRIA-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)[N+](=O)[O-])O
NSC Number:
41627
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.097g/mol
Monoisotopic Mass:
156.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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