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Home > Other Heterocycles > 106661-50-1
106661-50-1 | Bicyclo[5.2.0]nonane-2,6,8-trione, 4,4-dimethyl-1,9-diphenyl-
CAS No: 106661-50-1 Catalog No: AG007C93 MDL No:
Product Description
Catalog Number:
AG007C93
Chemical Name:
Bicyclo[5.2.0]nonane-2,6,8-trione, 4,4-dimethyl-1,9-diphenyl-
CAS Number:
106661-50-1
Molecular Formula:
C23H22O3
Molecular Weight:
346.4190
IUPAC Name:
4,4-dimethyl-1,9-diphenylbicyclo[5.2.0]nonane-2,6,8-trione
InChI:
InChI=1S/C23H22O3/c1-22(2)13-17(24)20-21(26)19(15-9-5-3-6-10-15)23(20,18(25)14-22)16-11-7-4-8-12-16/h3-12,19-20H,13-14H2,1-2H3
InChI Key:
QYLLPGHGFKUZFI-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C2(C1C(=O)C2c1ccccc1)c1ccccc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.426g/mol
Monoisotopic Mass:
346.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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