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14938-60-4 | 1H,3H-Naphtho[1,8-cd]pyran-1-one, 3,3-diphenyl-
CAS No: 14938-60-4 Catalog No: AG001LNT MDL No:
Product Description
Catalog Number:
AG001LNT
Chemical Name:
1H,3H-Naphtho[1,8-cd]pyran-1-one, 3,3-diphenyl-
CAS Number:
14938-60-4
Molecular Formula:
C24H16O2
Molecular Weight:
336.3826
IUPAC Name:
4,4-diphenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
InChI:
InChI=1S/C24H16O2/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(26-23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H
InChI Key:
FFLUSACBFUTHFY-UHFFFAOYSA-N
SMILES:
O=C1OC(c2ccccc2)(c2ccccc2)c2c3c1cccc3ccc2
NSC Number:
154693
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.39g/mol
Monoisotopic Mass:
336.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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