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73562-85-3

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Basic Information
CAS No.: 73562-85-3
Name: 1,4,5,8-TETRAACETOXYANTHRACENE
Molecular Structure:
Molecular Structure of 73562-85-3 (1,4,5,8-TETRAACETOXYANTHRACENE)
Formula: C22H18O8
Molecular Weight: 410.3735
Synonyms: 1,4,5,8-Anthracenetetrol,tetraacetate (9CI);1,4,5,8-Tetraacetoxyanthracene;anthracene-1,4,5,8-tetrayl tetraacetate;1,4,5,8-Tetraacetoxyanthracene;4,5,8-tri(acetyloxy)-1-anthryl acetate;
Density: 1.331 g/cm3
Boiling Point: 591.8 °C at 760 mmHg
Flash Point: 258.1 °C
PSA: 105.20000
LogP: 3.69420
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Specification

The 1,4,5,8-Anthracenetetrol,1,4,5,8-tetraacetate, with the CAS registry number 73562-85-3, has the systematic name of anthracene-1,4,5,8-tetrayl tetraacetate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C22H18O8.

The characteristics of 1,4,5,8-Anthracenetetrol,1,4,5,8-tetraacetate are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.65; (6)ACD/BCF (pH 7.4): 27.65; (7)ACD/KOC (pH 5.5): 374.6; (8)ACD/KOC (pH 7.4): 374.6; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 105.2 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 107.3 cm3; (15)Molar Volume: 308.1 cm3; (16)Polarizability: 42.53×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 88.27 kJ/mol; (21)Boiling Point: 591.8 °C at 760 mmHg; (22)Vapour Pressure: 5.59E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1c3c(c(OC(=O)C)cc1)cc2c(OC(=O)C)ccc(OC(=O)C)c2c3)C
(2)InChI: InChI=1/C22H18O8/c1-11(23)27-19-5-6-20(28-12(2)24)16-10-18-17(9-15(16)19)21(29-13(3)25)7-8-22(18)30-14(4)26/h5-10H,1-4H3
(3)InChIKey: OEXJITBZUPQYGG-UHFFFAOYAB