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Home > Nitro Compounds > 269077-46-5
269077-46-5 | 1,3-dimethyl-5,5-dinitro-1,3-diazinane-2,4,6-trione
CAS No: 269077-46-5 Catalog No: AG01EUNE MDL No:
Product Description
Catalog Number:
AG01EUNE
Chemical Name:
1,3-dimethyl-5,5-dinitro-1,3-diazinane-2,4,6-trione
CAS Number:
269077-46-5
Molecular Formula:
C6H6N4O7
Molecular Weight:
246.1344
IUPAC Name:
1,3-dimethyl-5,5-dinitro-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C6H6N4O7/c1-7-3(11)6(9(14)15,10(16)17)4(12)8(2)5(7)13/h1-2H3
InChI Key:
HNNWQDGXIMTVJA-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)C(C(=O)N1C)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
246.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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