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97070-55-8

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Basic Information
CAS No.: 97070-55-8
Name: (E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-1-benzopyran-4-one
Molecular Structure:
Molecular Structure of 97070-55-8 ((E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-1-benzopyran-4-one)
Formula: C19H16O2
Molecular Weight: 276.335
Synonyms: (E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-1-benzopyran-4-one;(E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-chromen-4-one
Density: 1.159 g/cm3
Boiling Point: 441.8 °C at 760 mmHg
Flash Point: 197.3 °C
PSA: 30.21000
LogP: 4.80150
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  • 4H-1-Benzopyran-4-one,3-methyl-2-phenyl-8-(1-propenyl)-, (E)- (9CI)

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  • (E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-chromen-4-one

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Specification

The (E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-chromen-4-one is an organic compound with the formula C19H16O2. The systematic name of this chemical is 3-methyl-2-phenyl-8-[(1E)-prop-1-en-1-yl]-4H-chromen-4-one. With the CAS registry number 97070-55-8, it is also named as 4H-1-benzopyran-4-one, 3-methyl-2-phenyl-8-[(1E)-1-propen-1-yl]-.

Physical properties about (E)-3-Methyl-2-phenyl-8-(prop-1-enyl)-4H-chromen-4-one are: (1)ACD/LogP: 4.98; (2)ACD/LogD (pH 5.5): 4.98; (3)ACD/LogD (pH 7.4): 4.98; (4)ACD/BCF (pH 5.5): 3585.35; (5)ACD/BCF (pH 7.4): 3585.35; (6)ACD/KOC (pH 5.5): 12187.86; (7)ACD/KOC (pH 7.4): 12187.86; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 84.8 cm3; (13)Molar Volume: 238.2 cm3; (14)Polarizability: 33.61×10-24cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 197.3 °C; (18)Enthalpy of Vaporization: 69.92 kJ/mol; (19)Boiling Point: 441.8 °C at 760 mmHg; (20)Vapour Pressure: 5.28E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1C)c2ccccc2)c(ccc3)/C=C/C
(2)InChI: InChI=1/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-12H,1-2H3/b8-3+
(3)InChIKey: FDZILCXQMSTFED-FPYGCLRLBF
(4)Std. InChI: InChI=1S/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-12H,1-2H3/b8-3+
(5)Std. InChIKey: FDZILCXQMSTFED-FPYGCLRLSA-N