CAS No.518-83-2,1,3-DIHYDROXYANTHRAQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	518-83-2
Name:	1,3-DIHYDROXYANTHRAQUINONE
Article Data:	10

Formula:	C₁₄H₈O₄
Molecular Weight:	240.215
Synonyms:	Anthraquinone,1,3-dihydroxy- (8CI);Xanthopurpurin (6CI);1,3-Dihydroxy-9,10-anthraquinone;1,3-Dihydroxyanthraquinone;C.I. 75340;Purpuroxanthin;Purpuroxanthine;Xanthopurpurine;1,3-Dihydroxyanthracene-9,10-dione;
Density:	1.54 g/cm³
Melting Point:	266-268℃
Boiling Point:	514.5 ºC at 760 mmHg
Flash Point:	279 ºC
PSA:	74.60000
LogP:	1.87320

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Specification

The 9,10-Anthracenedione,1,3-dihydroxy-, with the CAS registry number 518-83-2, is also known as 1,3-Dihydroxyanthraquinone. This chemical's molecular formula is C₁₄H₈O₄ and molecular weight is 240.21. What's more, its systematic name is 1,3-Dihydroxyanthracene-9,10-dione.

Physical properties of 9,10-Anthracenedione,1,3-dihydroxy- are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.732; (8)Molar Refractivity: 62.43 cm³; (9)Molar Volume: 155.9 cm³; (10)Polarizability: 24.74×10^-24cm³; (11)Surface Tension: 79.2 dyne/cm; (12)Density: 1.54 g/cm³; (13)Flash Point: 279 °C; (14)Enthalpy of Vaporization: 81.58 kJ/mol; (15)Boiling Point: 514.5 °C at 760 mmHg; (16)Vapour Pressure: 3.31E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O
(2)InChI: InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
(3)InChIKey: WPWWKBNOXTZDQJ-UHFFFAOYSA-N