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Home > Nitro Compounds > 168167-49-5
168167-49-5 | 2-Pyridinemethanol, 3-methyl-4-nitro-
CAS No: 168167-49-5 Catalog No: AG001XVL MDL No:MFCD06658172
Product Description
Catalog Number:
AG001XVL
Chemical Name:
2-Pyridinemethanol, 3-methyl-4-nitro-
CAS Number:
168167-49-5
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD06658172
IUPAC Name:
(3-methyl-4-nitropyridin-2-yl)methanol
InChI:
InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
InChI Key:
YFYLOUJBRSOJSQ-UHFFFAOYSA-N
SMILES:
OCc1nccc(c1C)[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:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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