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40733-70-8

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Basic Information
CAS No.: 40733-70-8
Name: benzo[f]tetraphene-10,11-dione
Molecular Structure:
Molecular Structure of 40733-70-8 (benzo[f]tetraphene-10,11-dione)
Formula: C22H12O2
Molecular Weight: 308.3295
Synonyms: Benzo(b)triphenylene-10,11-dione
Density: 1.37 g/cm3
Boiling Point: 581.2 °C at 760 mmHg
Flash Point: 258.4 °C
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Specification

The CAS registry number of Benzo(b)triphenylene-10,11-dione is 40733-70-8. This chemical's molecular formula is C22H12O2 and molecular weight is 308.3295. What's more, its systematic name is called Benzo[f]tetraphene-10,11-dione.

Physical properties about Benzo(b)triphenylene-10,11-dione are: (1)ACD/LogP: 5.17; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 5009.3; (6)ACD/BCF (pH 7.4): 5009.3; (7)ACD/KOC (pH 5.5): 15484.34; (8)ACD/KOC (pH 7.4): 15484.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.803; (14)Molar Refractivity: 96.43 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 38.22×10-24 cm3; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 258.4 °C; (20)Enthalpy of Vaporization: 86.92 kJ/mol; (21)Boiling Point: 581.2 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4c5cc2c(c1ccccc1c3ccccc23)cc5\C=C/C4=O
(2) InChI: InChI=1/C22H12O2/c23-21-10-9-13-11-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20(19)12-18(13)22(21)24/h1-12H
(3) InChIKey: QNZYRKIDHODICU-UHFFFAOYAV