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40498-13-3

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Basic Information
CAS No.: 40498-13-3
Name: 2,3-dihydro-1,4-dihydroxyanthraquinone
Molecular Structure:
Molecular Structure of 40498-13-3 (2,3-dihydro-1,4-dihydroxyanthraquinone)
Formula: C14H10O4
Molecular Weight: 242.231
Synonyms: 2,3-Dihydro-1,4-dihydroxyanthraquinone;Leuco-1,4-dihydroxyanthraquinone;Leucoquinizarin;NSC 42299;1,4-Dihydroxy-2,3-dihydroanthracene-9,10-dione;Anthraquinone, 2,3-dihydro-1,4-dihydroxy;
EINECS: 241-631-3
Density: 1.527 g/cm3
Boiling Point: 388.385 °C at 760 mmHg
Flash Point: 202.857 °C
Solubility: 750μg/L at 20℃
PSA: 74.60000
LogP: 2.48360
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Specification

The 9,10-Anthracenedione,2,3-dihydro-1,4-dihydroxy-, with the CAS registry number 40498-13-3, is also known as 2,3-Dihydro-1,4-dihydroxyanthraquinone. This chemical's molecular formula is C14H10O4 and molecular weight is 242.23. What's more, its systematic name is 1,4-Dihydroxy-2,3-dihydroanthracene-9,10-dione and its EINECS number is 254-942-4.

Physical properties of 9,10-Anthracenedione,2,3-dihydro-1,4-dihydroxy- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.6 Å2; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 61.914 cm3; (14)Molar Volume: 158.595 cm3; (15)Polarizability: 24.545×10-24 cm3; (16)Surface Tension: 75.862 dyne/cm; (17)Density: 1.527 g/cm3; (18)Flash Point: 202.857 °C; (19)Enthalpy of Vaporization: 67.248 kJ/mol; (20)Boiling Point: 388.385 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2c1ccccc1C(=O)C=3/C\2=C(/O)CCC=3O
(2)InChI: InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-16H,5-6H2
(3)InChIKey: XVGQSHVTYJLKSM-UHFFFAOYSA-N