Basic Information | Post buying leads | Suppliers |
Name |
9,10-Anthracenedione,1,2,6-trihydroxy- |
EINECS | N/A |
CAS No. | 82-29-1 | Density | 1.659 g/cm3 |
PSA | 94.83000 | LogP | 1.57880 |
Solubility | N/A | Melting Point |
330°C |
Formula | C14H8O5 | Boiling Point | 462 °C at 760 mmHg |
Molecular Weight | 256.215 | Flash Point | 247.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anthraquinone,1,2,6-trihydroxy- (7CI,8CI);Flavopurpurin (6CI);1,2,6-Trihydroxyanthraquinone;Alizarine Red YCAP;Alizarine Y;C.I. 58240;C.I. Mordant Red 4;NSC 401141;2,7,8-Tha;2,7,8-Trihydroxyanthraquinone;1,2,6-Trihydroxyanthracene-9,10-dione; |
The 9,10-Anthracenedione,1,2,6-trihydroxy-, with the CAS registry number 82-29-1, is also known as 2,7,8-Trihydroxyanthraquinone. This chemical's molecular formula is C14H8O5 and molecular weight is 256.21. What's more, its systematic name is 1,2,6-Trihydroxyanthracene-9,10-dione.
Physical properties of 9,10-Anthracenedione,1,2,6-trihydroxy- are: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 622.27; (6)ACD/BCF (pH 7.4): 16.24; (7)ACD/KOC (pH 5.5): 3307.04; (8)ACD/KOC (pH 7.4): 86.32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.772; (14)Molar Refractivity: 64.31 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 25.49×10-24 cm3; (17)Surface Tension: 93.9 dyne/cm; (18)Density: 1.659 g/cm3; (19)Flash Point: 247.3 °C; (20)Enthalpy of Vaporization: 75.06 kJ/mol; (21)Boiling Point: 462 °C at 760 mmHg; (22)Vapour Pressure: 3.72E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
(2)InChI: InChI=1S/C14H8O5/c15-6-1-2-7-9(5-6)12(17)8-3-4-10(16)14(19)11(8)13(7)18/h1-5,15-16,19H
(3)InChIKey: QWPVOAUJFKGLQA-UHFFFAOYSA-N