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732299-45-5 | 4,5-Imidazolidinedione, 2-(dinitromethylene)-, compd. with methanol(1:1)
CAS No: 732299-45-5 Catalog No: AG005PY9 MDL No:
Product Description
Catalog Number:
AG005PY9
Chemical Name:
4,5-Imidazolidinedione, 2-(dinitromethylene)-, compd. with methanol(1:1)
CAS Number:
732299-45-5
Molecular Formula:
C5H6N4O7
Molecular Weight:
234.1237
IUPAC Name:
2-(dinitromethylidene)imidazolidine-4,5-dione;methanol
InChI:
InChI=1S/C4H2N4O6.CH4O/c9-2-3(10)6-1(5-2)4(7(11)12)8(13)14;1-2/h(H,5,9)(H,6,10);2H,1H3
InChI Key:
GTQISEZEDPEYDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=C1NC(=O)C(=O)N1)[N+](=O)[O-].CO
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.124g/mol
Monoisotopic Mass:
234.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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