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75187-56-3

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Basic Information
CAS No.: 75187-56-3
Name: 7,8-Dimethoxy isoflavone
Article Data: 2
Molecular Structure:
Molecular Structure of 75187-56-3 (7,8-Dimethoxy isoflavone)
Formula: C17H14O4
Molecular Weight: 282.29066
Synonyms: 7,8-Dimethoxy-2-phenylchromen-4-one;
Density: 1.242 g/cm3
Boiling Point: 458.9 °C at 760 mmHg
Flash Point: 205.2 °C
PSA: 48.67000
LogP: 3.47720
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  • 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-

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    75187-56-3

    4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-

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  • 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-

  • Casno:

    75187-56-3

    4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-

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Specification

The 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-, with the CAS registry number of 75187-56-3, is also known as 7,8-Dimethoxy-2-phenylchromen-4-one. Its molecular formula is C17H14O4 and molecular weight is 282.29066. What's more, its systematic name is 7,8-Dimethoxy-2-phenyl-4H-chromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 77.56 cm3; (9)Molar Volume: 227.2 cm3; (10)Surface Tension: 46.3 dyne/cm; (11)Density: 1.242 g/cm3; (12)Flash Point: 205.2 °C; (13)Enthalpy of Vaporization: 71.93 kJ/mol; (14)Boiling Point: 458.9 °C at 760 mmHg; (15)Vapour Pressure: 1.32E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccccc2)c(OC)c(OC)cc3
(2) InChI: InChI=1/C17H14O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-10H,1-2H3
(3) InChIKey: KJRQQECDVUXBCO-UHFFFAOYAL