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Home > Nitro Compounds > 15128-82-2
15128-82-2 | 3-Pyridinol, 2-nitro-
CAS No: 15128-82-2 Catalog No: AG001N87 MDL No:MFCD00006258
Product Description
Catalog Number:
AG001N87
Chemical Name:
3-Pyridinol, 2-nitro-
CAS Number:
15128-82-2
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD00006258
IUPAC Name:
2-nitropyridin-3-ol
InChI:
InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
InChI Key:
QBPDSKPWYWIHGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncccc1O
UNII:
UU357X85YB
NSC Number:
97501
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001 |
| Ab initio Hartree-Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080801 |
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