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94465-25-5

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Basic Information
CAS No.: 94465-25-5
Name: 9-(4-METHOXYPHENYL)XANTHEN-9-OL
Article Data: 6
Molecular Structure:
Molecular Structure of 94465-25-5 (9-(4-METHOXYPHENYL)XANTHEN-9-OL)
Formula: C20H16O3
Molecular Weight: 304.345
Synonyms: 9-(4-METHOXYPHENYL)XANTHEN-9-OL
Density: 1.264 g/cm3
Melting Point: 126 °C
Boiling Point: 463.8 °C at 760 mmHg
Flash Point: 234.3 °C
PSA: 38.69000
LogP: 4.08510
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Specification

The 9-(4-Methoxyphenyl)-9H-xanthen-9-ol, with the CAS registry number 94465-25-5, is also known as 9H-Xanthen-9-ol, 9-(4-methoxyphenyl)-. This chemical's molecular formula is C20H16O3 and molecular weight is 304.3392. Its IUPAC name is called 9-(4-methoxyphenyl)-9H-xanthen-9-ol.

Physical properties of 9-(4-Methoxyphenyl)-9H-xanthen-9-ol: (1)ACD/LogP: 3.52; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.652; (6)Molar Refractivity: 88.01 cm3; (7)Molar Volume: 240.7 cm3; (8)Surface Tension: 54 dyne/cm; (9)Density: 1.264 g/cm3; (10)Flash Point: 234.3 °C; (11)Enthalpy of Vaporization: 76.4 kJ/mol; (12)Boiling Point: 463.8 °C at 760 mmHg; (13)Vapour Pressure: 2.12E-09 mmHg at 25°C.

Uses of 9-(4-Methoxyphenyl)-9H-xanthen-9-ol: it can be used to produce 9-(4-methoxyphenyl)xanthene-9-thiol at temperature of 0 °C. This reaction will need reagent hydrogen sulphide, dichloroacetic acid and solvent CH2Cl2. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)C3(O)c4c(Oc2c3cccc2)cccc4)C
(2)InChI: InChI=1/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3
(3)InChIKey: ZYACEJZTEMQQEU-UHFFFAOYAN