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Home > Nitro Compounds > 113613-68-6
113613-68-6 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-nitro-, 4-hydrazone
CAS No: 113613-68-6 Catalog No: AG00095L MDL No:
Product Description
Catalog Number:
AG00095L
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-nitro-, 4-hydrazone
CAS Number:
113613-68-6
Molecular Formula:
C6H9N5O4
Molecular Weight:
215.1668
IUPAC Name:
6-hydrazinylidene-1,3-dimethyl-5-nitro-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C6H9N5O4/c1-9-4(8-7)3(11(14)15)5(12)10(2)6(9)13/h3H,7H2,1-2H3
InChI Key:
YBBHPEJTSYOGTD-UHFFFAOYSA-N
SMILES:
NN=C1C([N+](=O)[O-])C(=O)N(C(=O)N1C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.169g/mol
Monoisotopic Mass:
215.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.8
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