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28932-22-1

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Basic Information
CAS No.: 28932-22-1
Name: Dihydro-1,4,5,8-tetrahydroxyanthraquinone
Molecular Structure:
Molecular Structure of 28932-22-1 (Dihydro-1,4,5,8-tetrahydroxyanthraquinone)
Formula: C14H10O6
Molecular Weight: 274.23
Synonyms: Anthraquinone,1,4,5,8-tetrahydroxy-, leuco form (8CI);
EINECS: 249-319-9
Density: 1.773g/cm3
Boiling Point: 688.5 °C at 760 mmHg
Flash Point: 384.1 °C
PSA: 121.38000
LogP: 2.22660
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Specification

The Dihydro-1,4,5,8-tetrahydroxyanthraquinone, its cas register number is 28932-22-1. It also can be called as Leuco-1,4,5,8-tetrahydroxyanthraquinone and the IUPAC name about this chemical is 1,4,5,8-Tetrahydroxy-4a,9a-dihydroanthracene-9,10-dione.

Physical properties about Dihydro-1,4,5,8-tetrahydroxyanthraquinone are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 333.59; (5)ACD/BCF (pH 7.4): 107.67; (6)ACD/KOC (pH 5.5): 2210.94; (7)ACD/KOC (pH 7.4): 713.62; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 71.06Å2; (12)Index of Refraction: 1.797; (13)Molar Refractivity: 65.94 cm3; (14)Molar Volume: 154.6 cm3; (15)Polarizability: 26.14x10-24cm3; (16)Surface Tension: 110.9 dyne/cm; (17)Enthalpy of Vaporization: 105.99 kJ/mol; (18)Vapour Pressure: 6.69E-20 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C2C(=O)C3C(C(=CC=C3O)O)C(=O)C2=C1O)O
(2)InChI: InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,9-10,15-18H
(3)InChIKey: GXPRZZBMSUFMFM-UHFFFAOYSA-N