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Home > Nitro Compounds > 1678-53-1
1678-53-1 | Pyridine, 3-methyl-4-nitro-
CAS No: 1678-53-1 Catalog No: AG001XMH MDL No:MFCD03095084
Product Description
Catalog Number:
AG001XMH
Chemical Name:
Pyridine, 3-methyl-4-nitro-
CAS Number:
1678-53-1
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD03095084
IUPAC Name:
3-methyl-4-nitropyridine
InChI:
InChI=1S/C6H6N2O2/c1-5-4-7-3-2-6(5)8(9)10/h2-4H,1H3
InChI Key:
UYAWSMUOLFSNGC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccncc1C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 3-Nitro-benzoic acid-3-methyl-4-nitro-pyridine 1-oxide (1/1). | Acta crystallographica. Section E, Structure reports online 20090701 |
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