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23251-63-0

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Basic Information
CAS No.: 23251-63-0
Name: 1-Hydroxy-3,4,5-trimethoxyxanthone
Article Data: 2
Molecular Structure:
Molecular Structure of 23251-63-0 (1-Hydroxy-3,4,5-trimethoxyxanthone)
Formula: C16H14O6
Molecular Weight: 302.284
Synonyms: Xanthen-9-one,1-hydroxy-3,4,5-trimethoxy- (8CI);8-hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one;9H-xanthen-9-one, 8-hydroxy-1,2,6-trimethoxy-;8-Hydroxy-1,2,6-trimethoxy-xanthen-9-one;
Density: 1.349 g/cm3
Boiling Point: 513.5 °C at 760 mmHg
Flash Point: 193.6 °C
PSA: 78.13000
LogP: 2.67760
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Specification

The 1-Hydroxy-3,4,5-trimethoxyxanthone, with the cas registry number 23251-63-0, has the systematic name of 8-hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one. And the molecular formula of the chemical is C16H14O6.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 63.22 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 77.44 cm3; (9)Molar Volume: 224 cm3; (10)Polarizability: 30.7×10-24cm3; (11)Surface Tension: 51.7 dyne/cm; (12)Density: 1.349 g/cm3; (13)Flash Point: 193.6 °C; (14)Enthalpy of Vaporization: 81.46 kJ/mol; (15)Boiling Point: 513.5 °C at 760 mmHg; (16)Vapour Pressure: 3.62E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c3c(OC)c(OC)ccc3Oc2c1c(O)cc(OC)c2
(2)InChI: InChI=1/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3
(3)InChIKey: VYRIGRQQKUZPEX-UHFFFAOYAJ