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Home > Nitro Compounds > 139005-01-9
139005-01-9 | Pyridine, 5-nitro-2-(2-oxiranylmethoxy)-
CAS No: 139005-01-9 Catalog No: AG001A02 MDL No:
Product Description
Catalog Number:
AG001A02
Chemical Name:
Pyridine, 5-nitro-2-(2-oxiranylmethoxy)-
CAS Number:
139005-01-9
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
5-nitro-2-(oxiran-2-ylmethoxy)pyridine
InChI:
InChI=1S/C8H8N2O4/c11-10(12)6-1-2-8(9-3-6)14-5-7-4-13-7/h1-3,7H,4-5H2
InChI Key:
UDIHDLPABZEYGH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)OCC1CO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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