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125240-02-0

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Basic Information
CAS No.: 125240-02-0
Name: 4'-METHOXY-5,6-BENZOFLAVONE
Article Data: 8
Molecular Structure:
Molecular Structure of 125240-02-0 (4'-METHOXY-5,6-BENZOFLAVONE)
Formula: C20H14O3
Molecular Weight: 302.329
Synonyms: 3-(4-Methoxyphenyl)-1H-benzo[f]chromen-1-one;
Density: 1.273 g/cm3
Boiling Point: 490.7 °C at 760 mmHg
Flash Point: 242.8 °C
PSA: 39.44000
LogP: 4.62180
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Specification

The 1H-Naphtho[2, 1-b]pyran-1-one, 3-(4-methoxyphenyl)-, with the CAS registry number of125240-02-0 , is also known as Methoxy 4'-β-naphthoflavone. It belongs to the product category of Flavones. This chemical's molecular formula is C20H14O3 and molecular weight is 302.32. What's more, its systematic name is called 3-(4-Methoxyphenyl)-1H-benzo[f]chromen-1-one.

Physical properties about 1H-Naphtho[2, 1-b]pyran-1-one, 3-(4-methoxyphenyl)- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 88.72 cm3; (9)Molar Volume: 237.3 cm3; (10)Surface Tension: 52.5 dyne/cm; (11)Density: 1.273 g/cm3; (12)Flash Point: 242.8 °C; (13)Enthalpy of Vaporization: 75.72 kJ/mol; (14)Boiling Point: 490.7 °C at 760 mmHg; (15)Vapour Pressure: 8.97E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)cc2)ccc4c3cccc4
(2) InChI: InChI=1/C20H14O3/c1-22-15-9-6-14(7-10-15)19-12-17(21)20-16-5-3-2-4-13(16)8-11-18(20)23-19/h2-12H,1H3
(3) InChIKey: LNVFIVSNGPLFPU-UHFFFAOYAJ