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75528-58-4

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Basic Information
CAS No.: 75528-58-4
Name: 1-METHYL-2-PHENYL-BENZ[CD]INDOL-5(1H)-ONE
Article Data: 1
Molecular Structure:
Molecular Structure of 75528-58-4 (1-METHYL-2-PHENYL-BENZ[CD]INDOL-5(1H)-ONE)
Formula: C18H13NO
Molecular Weight: 259.3
Synonyms: 1-METHYL-2-PHENYL-BENZ[CD]INDOL-5(1H)-ONE; 1-Methyl-2-phenylbenzo[cd]indol-5(1H)-one; benz[cd]indol-5(1H)-one, 1-methyl-2-phenyl-; LogP
Density: 1.2 g/cm3
Melting Point: 491 °C at 760 mmHg
Boiling Point: 491°C at 760 mmHg
Flash Point: 250.8 °C
PSA: 22.00000
LogP: 3.79650
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Specification

The CAS registry number of Benz[cd]indol-5(1H)-one, 1-methyl-2-phenyl- is 75528-58-4. This chemical's molecular formula is C18H13NO and molecular weight is 259.3. What's more, its systematic name is called 1-Methyl-2-phenylbenzo[cd]indol-5(1H)-one.

Physical properties about Benz[cd]indol-5(1H)-one, 1-methyl-2-phenyl- are: (1)ACD/LogP: 4.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1403.96; (6)ACD/BCF (pH 7.4): 1403.96; (7)ACD/KOC (pH 5.5): 6229.82; (8)ACD/KOC (pH 7.4): 6229.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 79.92 cm3; (15)Molar Volume: 215.5 cm3; (16)Polarizability: 31.68×10-24 cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 250.8 °C; (20)Enthalpy of Vaporization: 75.77 kJ/mol; (21)Boiling Point: 491 °C at 760 mmHg; (22)Vapour Pressure: 8.69E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C\c3c1c(cccc12)n(C)c3c4ccccc4
(2) InChI: InChI=1/C18H13NO/c1-19-15-9-5-8-13-16(20)11-10-14(17(13)15)18(19)12-6-3-2-4-7-12/h2-11H,1H3
(3) InChIKey: AUKAWLIIKXCDLN-UHFFFAOYAK