bellidifolin supplier | CasNO.2798-25-6

Name
bellidifolin
EINECS
CAS No. 2798-25-6
Article Data6
CAS DataBase
Density 1.586 g/cm³
Solubility
Melting Point 265-267oC
Formula C₁₄H₁₀O₆
Boiling Point 580.2 °C at 760 mmHg
Molecular Weight 274.23
Flash Point 228 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Xanthen-9-one,1,5,8-trihydroxy-3-methoxy- (7CI,8CI);1,5,8-Trihydroxy-3-methoxyxanthone;Bellidifodin;Bellidifolin;Bellidifolium;Bellidifoline;3-Methoxy-1,5,8-trihydroxyxanthone;1,5,8-Trihydroxy-3-methoxy-9H-xanthen-9-one;9H-xanthen-9-one, 1,5,8-trihydroxy-3-methoxy-;
PSA 100.13000
LogP 2.07160

bellidifolin Specification

The bellidifolin, with the CAS registry number 2798-25-6, has the systematic name of 1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one. It is also called 3-Methoxy-1,5,8-trihydroxyxanthone. And the molecular formula of this chemical is C₁₄H₁₀O₆.

The physical properties of bellidifolin are as following: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 64.75; (8)ACD/KOC (pH 7.4): 4.65; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 67.85 cm³; (15)Molar Volume: 172.9 cm³; (16)Polarizability: 26.89×10^-24cm³; (17)Surface Tension: 78.2 dyne/cm; (18)Density: 1.586 g/cm³; (19)Flash Point: 228 °C; (20)Enthalpy of Vaporization: 90.01 kJ/mol; (21)Boiling Point: 580.2 °C at 760 mmHg; (22)Vapour Pressure: 4.6E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O)cc(OC)cc3Oc2c1c(O)ccc2O
(2)InChI: InChI=1/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
(3)InChIKey: JDIORNFCMMYMLF-UHFFFAOYAK

Product Name

bellidifolin

bellidifolin Specification

Related Products

Hot Products