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55780-94-4 | 3,3a,6,6a-Tetrahydro-6a-methyl-2,3,6-triphenyloxazolo[5,4-d]isoxazol-5(2H)-one
CAS No: 55780-94-4 Catalog No: AG00DM6A MDL No:
Product Description
Catalog Number:
AG00DM6A
Chemical Name:
3,3a,6,6a-Tetrahydro-6a-methyl-2,3,6-triphenyloxazolo[5,4-d]isoxazol-5(2H)-one
CAS Number:
55780-94-4
IUPAC Name:
6a-methyl-2,3,6-triphenyl-3,3a-dihydro-[1,3]oxazolo[5,4-d][1,2]oxazol-5-one
InChI:
InChI=1S/C23H20N2O3/c1-23-21(27-22(26)24(23)18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)25(28-23)19-15-9-4-10-16-19/h2-16,20-21H,1H3
InChI Key:
DMHRDBIWJPBTME-UHFFFAOYSA-N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.424g/mol
Monoisotopic Mass:
372.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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