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Home > Nitro Compounds > 23493-04-1
23493-04-1 | Pyridine, 1,4-dihydro-1-methyl-3-nitro-
CAS No: 23493-04-1 Catalog No: AG002NEL MDL No:
Product Description
Catalog Number:
AG002NEL
Chemical Name:
Pyridine, 1,4-dihydro-1-methyl-3-nitro-
CAS Number:
23493-04-1
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
1-methyl-3-nitro-4H-pyridine
InChI:
InChI=1S/C6H8N2O2/c1-7-4-2-3-6(5-7)8(9)10/h2,4-5H,3H2,1H3
InChI Key:
CYSHNHHUIJDRHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CN(C=CC1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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