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Home > Nitro Compounds > 138256-03-8
138256-03-8 | 3-Pyridinol, 2-methoxy-5-nitro-
CAS No: 138256-03-8 Catalog No: AG0018EU MDL No:
Product Description
Catalog Number:
AG0018EU
Chemical Name:
3-Pyridinol, 2-methoxy-5-nitro-
CAS Number:
138256-03-8
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
IUPAC Name:
2-methoxy-5-nitropyridin-3-ol
InChI:
InChI=1S/C6H6N2O4/c1-12-6-5(9)2-4(3-7-6)8(10)11/h2-3,9H,1H3
InChI Key:
CMFWGQYOUJDMFR-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1O)[N+](=O)[O-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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