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89665-89-4 | 2H-1,3,5-Oxadiazine-2,4,6(3H,5H)-trione, 3-methyl-5-(phenylmethyl)-
CAS No: 89665-89-4 Catalog No: AG0043I6 MDL No:
Product Description
Catalog Number:
AG0043I6
Chemical Name:
2H-1,3,5-Oxadiazine-2,4,6(3H,5H)-trione, 3-methyl-5-(phenylmethyl)-
CAS Number:
89665-89-4
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
3-benzyl-5-methyl-1,3,5-oxadiazinane-2,4,6-trione
InChI:
InChI=1S/C11H10N2O4/c1-12-9(14)13(11(16)17-10(12)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
QWVIUWGRIJQITN-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)n(c(=O)n1Cc1ccccc1)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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