Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
9H-Xanthen-9-one,1,3,5-trihydroxy- |
EINECS | N/A |
CAS No. | 6732-85-0 | Density | 1.64 g/cm3 |
PSA | 90.90000 | LogP | 2.06300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H8O5 | Boiling Point | 525.8 °C at 760 mmHg |
Molecular Weight | 244.204 | Flash Point | 211.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Xanthen-9-one,1,3,5-trihydroxy- (6CI,7CI,8CI);1,3,5-Trihydroxy-9H-xanthen-9-one;1,3,5-Trihydroxyxanthone;1,3,5-Trihydroxyxanthen-9-one; |
Article Data | 12 |
The 9H-Xanthen-9-one,1,3,5-trihydroxy-, with the CAS registry number 6732-85-0, is also known as 1,3,5-Trihydroxyxanthen-9-one. This chemical's molecular formula is C13H8O5 and molecular weight is 244.20. What's more, its systematic name is 1,3,5-Trihydroxy-9H-xanthen-9-one.
Physical properties of 9H-Xanthen-9-one,1,3,5-trihydroxy- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 4.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 95.54; (8)ACD/KOC (pH 7.4): 11.93; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 61.17 cm3; (15)Molar Volume: 148.9 cm3; (16)Polarizability: 24.25×10-24 cm3; (17)Surface Tension: 87.6 dyne/cm; (18)Density: 1.64 g/cm3; (19)Flash Point: 211.6 °C; (20)Enthalpy of Vaporization: 83.01 kJ/mol; (21)Boiling Point: 525.8 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O
(2)InChI: InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
(3)InChIKey: XESIWQIMUSNPRO-UHFFFAOYSA-N