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55780-96-6 | 3,3a,6,6a-Tetrahydro-3a,6a-dimethyl-2,3,6-triphenyloxazolo[5,4-d]isoxazol-5(2H)-one
CAS No: 55780-96-6 Catalog No: AG00DM6H MDL No:
Product Description
Catalog Number:
AG00DM6H
Chemical Name:
3,3a,6,6a-Tetrahydro-3a,6a-dimethyl-2,3,6-triphenyloxazolo[5,4-d]isoxazol-5(2H)-one
CAS Number:
55780-96-6
IUPAC Name:
3a,6a-dimethyl-2,3,6-triphenyl-3H-[1,3]oxazolo[5,4-d][1,2]oxazol-5-one
InChI:
InChI=1S/C24H22N2O3/c1-23-21(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)29-24(23,2)25(22(27)28-23)19-14-8-4-9-15-19/h3-17,21H,1-2H3
InChI Key:
BMMZOWMHEFVJGH-UHFFFAOYSA-N
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.451g/mol
Monoisotopic Mass:
386.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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