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Home > Nitro Compounds > 28489-45-4
28489-45-4 | 2(1H)-Pyridinone, 6-methyl-5-nitro-
CAS No: 28489-45-4 Catalog No: AG002VHW MDL No:MFCD19105663
Product Description
Catalog Number:
AG002VHW
Chemical Name:
2(1H)-Pyridinone, 6-methyl-5-nitro-
CAS Number:
28489-45-4
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD19105663
IUPAC Name:
6-methyl-5-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H6N2O3/c1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H,7,9)
InChI Key:
AJDDHNXZBGZBJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(=O)[nH]c1C
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:
0.1
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