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116423-22-4 | Ethanone, 1-(1,2-dihydro-5-acenaphthylenyl)-2-phenyl-
CAS No: 116423-22-4 Catalog No: AG000CGD MDL No:
Product Description
Catalog Number:
AG000CGD
Chemical Name:
Ethanone, 1-(1,2-dihydro-5-acenaphthylenyl)-2-phenyl-
CAS Number:
116423-22-4
Molecular Formula:
C20H16O
Molecular Weight:
272.3404
IUPAC Name:
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
InChI:
InChI=1S/C20H16O/c21-19(13-14-5-2-1-3-6-14)17-12-11-16-10-9-15-7-4-8-18(17)20(15)16/h1-8,11-12H,9-10,13H2
InChI Key:
CGIDNZLPLLZVKE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c3c1cccc3CC2)Cc1ccccc1
NSC Number:
32736
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.347g/mol
Monoisotopic Mass:
272.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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