9H-Xanthen-9-one,1,5-dihydroxy-3-methoxy- supplier

Name
1,5-Dihydroxy-3-methoxyxanthone
EINECS
CAS No. 3561-81-7
Density 1.48 g/cm³
Solubility
Melting Point 274-275 °C
Formula C₁₄H₁₀O₅
Boiling Point 507.9 °C at 760 mmHg
Molecular Weight 258.2262
Flash Point 200.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,5-Dihydroxy-3-methoxy-9H-xanthen-9-one;1,5-dihydroxy-3-methoxy-xanthen-9-one;Mesuaxanthone A;3-Methoxy-1,5-dihydroxyxanthen-9-one;1,5-Dihydroxy-3-methoxyxanthone;
PSA 79.90000
LogP 2.36600

9H-Xanthen-9-one,1,5-dihydroxy-3-methoxy- Specification

The 9H-Xanthen-9-one,1,5-dihydroxy-3-methoxy- with CAS registry number of 3561-81-7 is also called 3-Methoxy-1,5-dihydroxyxanthen-9-one. The IUPAC name is 1,5-dihydroxy-3-methoxy-9H-xanthen-9-one. In addition, the formula is C₁₄H₁₀O₅ and the molecular weight is 258.2262.

Physical properties about this chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 11.61; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 197.41; (8)ACD/KOC (pH 7.4): 29.26; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 65.97 cm³; (15)Molar Volume: 174.4 cm³; (16)Polarizability: 26.15 ×10^-24cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 200.2 °C; (20)Enthalpy of Vaporization: 80.75 kJ/mol; (21)Boiling Point: 507.9 °C at 760 mmHg; (22)Vapour Pressure: 6.17E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O)cc(OC)cc3Oc2c1cccc2O
(2)InChI: InChI=1/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
(3)InChIKey: IQIGECASJMDDMD-UHFFFAOYAN

Product Name

1,5-Dihydroxy-3-methoxyxanthone

9H-Xanthen-9-one,1,5-dihydroxy-3-methoxy- Specification

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