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145917-93-7

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Basic Information
CAS No.: 145917-93-7
Name: 3-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-6,7-DIOL
Molecular Structure:
Molecular Structure of 145917-93-7 (3-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-6,7-DIOL)
Formula: C15H12O4
Molecular Weight: 256.25
Synonyms: 3-(4-Hydroxyphenyl)-2h-1-benzopyran-6,7-diol;
Density: 1.439 g/cm3
Boiling Point: 526.8 °C at 760 mmHg
Flash Point: 272.4 °C
PSA: 69.92000
LogP: 2.73640
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    3-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-6,7-DIOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3-(4-hydroxyphenyl)-2H-chromene-6,7-diol

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    3-(4-hydroxyphenyl)-2H-chromene-6,7-diol

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Specification

The CAS register number of 2H-1-Benzopyran-6,7-diol,3-(4-hydroxyphenyl)- is 145917-93-7. The systematic name about this chemical is 3-(4-hydroxyphenyl)-2H-chromene-6,7-diol. The molecular formula about this chemical is C15H12O4 and the molecular weight is 256.25.

Physical properties about 2H-1-Benzopyran-6,7-diol,3-(4-hydroxyphenyl)- are: (1)ACD/LogP: 4.06; (2)ACD/LogD (pH 5.5): 4.06; (3)ACD/LogD (pH 7.4): 4.05; (4)ACD/BCF (pH 5.5): 713.58; (5)ACD/BCF (pH 7.4): 705.08; (6)ACD/KOC (pH 5.5): 3837.76; (7)ACD/KOC (pH 7.4): 3792.06; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.92 Å2; (12)Index of Refraction: 1.711; (13)Molar Refractivity: 69.72 cm3; (14)Molar Volume: 178 cm3; (15)Polarizability: 27.63x10-24cm3; (16)Surface Tension: 70.6 dyne/cm; (17)Density: 1.439 g/cm3; (18)Flash Point: 272.4 °C; (19)Enthalpy of Vaporization: 83.13 kJ/mol; (20)Boiling Point: 526.8 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc3ccc(\C1=C\c2c(OC1)cc(O)c(O)c2)cc3
(2)InChI: InChI=1/C15H12O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-7,16-18H,8H2
(3)InChIKey: DPGRBFWWYBMPIF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H12O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-7,16-18H,8H2
(5)Std. InChIKey: DPGRBFWWYBMPIF-UHFFFAOYSA-N