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86739-30-2 | 4H-1,3-Oxazin-4-one, 5-methyl-2,6-diphenyl-
CAS No: 86739-30-2 Catalog No: AG004NBC MDL No:
Product Description
Catalog Number:
AG004NBC
Chemical Name:
4H-1,3-Oxazin-4-one, 5-methyl-2,6-diphenyl-
CAS Number:
86739-30-2
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
InChI:
InChI=1S/C17H13NO2/c1-12-15(13-8-4-2-5-9-13)20-17(18-16(12)19)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
BDJMHWFAOVBQKJ-UHFFFAOYSA-N
SMILES:
O=c1nc(oc(c1C)c1ccccc1)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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