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98294-00-9 | 2H-Indeno[2,1-d]oxazole-2,4(3H)-dione, 3a,8b-dihydro-3,3a-diphenyl-
CAS No: 98294-00-9 Catalog No: AG006SRM MDL No:
Product Description
Catalog Number:
AG006SRM
Chemical Name:
2H-Indeno[2,1-d]oxazole-2,4(3H)-dione, 3a,8b-dihydro-3,3a-diphenyl-
CAS Number:
98294-00-9
Molecular Formula:
C22H15NO3
Molecular Weight:
341.3594
IUPAC Name:
3,3a-diphenyl-8bH-indeno[2,1-d][1,3]oxazole-2,4-dione
InChI:
InChI=1S/C22H15NO3/c24-19-17-13-7-8-14-18(17)20-22(19,15-9-3-1-4-10-15)23(21(25)26-20)16-11-5-2-6-12-16/h1-14,20H
InChI Key:
QSWDLZWLBGEPJH-UHFFFAOYSA-N
SMILES:
O=C1OC2C(N1c1ccccc1)(c1ccccc1)C(=O)c1c2cccc1
NSC Number:
686468
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.366g/mol
Monoisotopic Mass:
341.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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