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4657-89-0

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Basic Information
CAS No.: 4657-89-0
Name: 5-Benzoylacenaphthene
Article Data: 12
Molecular Structure:
Molecular Structure of 4657-89-0 (5-Benzoylacenaphthene)
Formula: C19H14O
Molecular Weight: 258.32
Synonyms: Acenaphthene, 5-benzoyl-;
Density: 1.212 g/cm3
Boiling Point: 450.6 °C at 760 mmHg
Flash Point: 200.7 °C
PSA: 17.07000
LogP: 4.16940
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  • Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl-

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  • Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl-

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    Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl-

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  • 5-Benzoylacenaphthene

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    5-Benzoylacenaphthene

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Specification

The Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl-, with the CAS registry number of 4657-89-0, is also known as Acenaphthene, 5-benzoyl-. Its molecular formula is C19H14O and molecular weight is 258.313860. What's more, its IUPAC name is 1,2-Dihydroacenaphthylen-5-yl(phenyl)methanone.

Physical properties about the Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl- are: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4824.34; (6)ACD/BCF (pH 7.4): 4824.34; (7)ACD/KOC (pH 5.5): 15072.94; (8)ACD/KOC (pH 7.4): 15072.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 81.45 cm3; (15)Molar Volume: 213 cm3; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.212 g/cm3; (18)Flash Point: 200.7 °C; (19)Enthalpy of Vaporization: 70.95 kJ/mol; (20)Boiling Point: 450.6 °C at 760 mmHg; (21)Vapour Pressure: 2.6E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc3c2c1cccc2CC3)c4ccccc4
(2) InChI: InChI=1/C19H14O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10H2
(3) InChIKey: YQRRSORFUCNQAC-UHFFFAOYAU