9H-Xanthen-9-one,1,7-dihydroxy- supplier

Name
3,6-DIHYDROXYXANTHONE
EINECS
CAS No. 529-61-3
Article Data19
CAS DataBase
Density 1.516 g/cm³
Solubility
Melting Point
Formula C₁₃H₈O₄
Boiling Point 472.6 °C at 760 mmHg
Molecular Weight 228.204
Flash Point 191.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,7-Dihydroxyxanthone;Xanthone, 1,7-dihydroxy-;
PSA 70.67000
LogP 2.35740

9H-Xanthen-9-one,1,7-dihydroxy- Specification

The 9H-Xanthen-9-one,1,7-dihydroxy-, with the CAS registry number 529-61-3, is also known as 1,7-Dihydroxyxanthone and Xanthone, 1,7-dihydroxy-. This chemical's molecular formula is C₁₃H₈O₄ and molecular weight is 228.2002. What's more, its systematic name is called 1,7-Dihydroxy-9H-xanthen-9-one.

Physical properties about 9H-Xanthen-9-one,1,7-dihydroxy- are: (1)ACD/LogP: 1.92; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 16.68; (6)ACD/BCF (pH 7.4): 6.93; (7)ACD/KOC (pH 5.5): 259.54; (8)ACD/KOC (pH 7.4): 107.91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 59.29 cm³; (15)Molar Volume: 150.4 cm³; (16)Surface Tension: 73.3 dyne/cm; (17)Density: 1.516 g/cm³; (18)Flash Point: 191.1 °C; (19)Enthalpy of Vaporization: 76.37 kJ/mol; (20)Boiling Point: 472.6 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c3c(Oc2c1c(O)ccc2)ccc(O)c3
(2) InChI: InChI=1/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H
(3) InChIKey: KDXFPEKLLFWHMN-UHFFFAOYAE

Product Name

3,6-DIHYDROXYXANTHONE

9H-Xanthen-9-one,1,7-dihydroxy- Specification

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