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Home > Nitro Compounds > 680881-03-2
680881-03-2 | 4,6(1H,5H)-Pyrimidinedione, 2-methyl-5,5-dinitro-
CAS No: 680881-03-2 Catalog No: AG005NG9 MDL No:
Product Description
Catalog Number:
AG005NG9
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, 2-methyl-5,5-dinitro-
CAS Number:
680881-03-2
Molecular Formula:
C5H4N4O6
Molecular Weight:
216.1085
IUPAC Name:
2-methyl-5,5-dinitro-1H-pyrimidine-4,6-dione
InChI:
InChI=1S/C5H4N4O6/c1-2-6-3(10)5(8(12)13,9(14)15)4(11)7-2/h1H3,(H,6,7,10,11)
InChI Key:
RXSAXLVWIHPCED-UHFFFAOYSA-N
SMILES:
CC1=NC(=O)C(C(=O)N1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.109g/mol
Monoisotopic Mass:
216.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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