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Home > Nitro Compounds > 21901-18-8
21901-18-8 | 2-Hydroxy-4-methyl-3-nitropyridine
CAS No: 21901-18-8 Catalog No: AG003HEI MDL No:MFCD00955770
Product Description
Catalog Number:
AG003HEI
Chemical Name:
2-Hydroxy-4-methyl-3-nitropyridine
CAS Number:
21901-18-8
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD00955770
IUPAC Name:
4-methyl-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H6N2O3/c1-4-2-3-7-6(9)5(4)8(10)11/h2-3H,1H3,(H,7,9)
InChI Key:
HZCWTTHQRMHIIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc[nH]c1=O
NSC Number:
402986
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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