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89665-94-1 | 2H-1,3,5-Oxadiazine-2,4,6(3H,5H)-trione, 3-methyl-
CAS No: 89665-94-1 Catalog No: AG0044KZ MDL No:
Product Description
Catalog Number:
AG0044KZ
Chemical Name:
2H-1,3,5-Oxadiazine-2,4,6(3H,5H)-trione, 3-methyl-
CAS Number:
89665-94-1
Molecular Formula:
C4H4N2O4
Molecular Weight:
144.0856
IUPAC Name:
3-methyl-1,3,5-oxadiazinane-2,4,6-trione
InChI:
InChI=1S/C4H4N2O4/c1-6-2(7)5-3(8)10-4(6)9/h1H3,(H,5,7,8)
InChI Key:
XWNZFIRXODZNOA-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)n(c(=O)[nH]1)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.086g/mol
Monoisotopic Mass:
144.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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