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Home > Nitro Compounds > 88499-61-0
88499-61-0 | 2,4(1H,3H)-Pyridinedione, 6-methyl-5-nitro-
CAS No: 88499-61-0 Catalog No: AG00495M MDL No:
Product Description
Catalog Number:
AG00495M
Chemical Name:
2,4(1H,3H)-Pyridinedione, 6-methyl-5-nitro-
CAS Number:
88499-61-0
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
IUPAC Name:
4-hydroxy-6-methyl-5-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H6N2O4/c1-3-6(8(11)12)4(9)2-5(10)7-3/h2H,1H3,(H2,7,9,10)
InChI Key:
CIUJVYFTEYYUBS-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(=O)C1)[N+](=O)[O-])C
Properties
Complexity:
310
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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