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88062-41-3 | 6H-1,3,4-Oxadiazin-6-one, 4,5-dihydro-4-methyl-5-phenyl-, (R)-
CAS No: 88062-41-3 Catalog No: AG004FFW MDL No:
Product Description
Catalog Number:
AG004FFW
Chemical Name:
6H-1,3,4-Oxadiazin-6-one, 4,5-dihydro-4-methyl-5-phenyl-, (R)-
CAS Number:
88062-41-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
(5R)-4-methyl-5-phenyl-5H-1,3,4-oxadiazin-6-one
InChI:
InChI=1S/C10H10N2O2/c1-12-9(10(13)14-7-11-12)8-5-3-2-4-6-8/h2-7,9H,1H3/t9-/m1/s1
InChI Key:
VIJMCNRIJRGUOI-SECBINFHSA-N
SMILES:
CN1N=COC(=O)[C@H]1c1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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