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CAS No.: | 145386-12-5 |
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Name: | 2,3,7,8-TETRAACETOXYDIBENZOFURAN |
Molecular Structure: | |
Formula: | C20H16O9 |
Molecular Weight: | 400.342 |
Synonyms: | 2,3,7,8-Dibenzofurantetrol,tetraacetate (9CI);NSC 403627;2,3,7,8-Tetraacetoxydibenzofuran;Dibenzo[b,d]furan-2,3,7,8-tetrayl tetraacetate; |
Density: | 1.375 g/cm3 |
Boiling Point: | 561.2 °C at 760 mmHg |
Flash Point: | 293.2 ºC |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 118.34000 |
LogP: | 3.28720 |
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The 2,3,7,8-Dibenzofurantetrol, 2,3,7,8-tetraacetate, with the CAS registry number 145386-12-5, is also known as 2,3,7,8-Tetraacetoxydibenzofuran. This chemical's molecular formula is C20H16O9 and molecular weight is 400.34. What's more, its systematic name is dibenzo[b,d]furan-2,3,7,8-tetrayl tetraacetate.
Physical properties of 2,3,7,8-Dibenzofurantetrol, 2,3,7,8-tetraacetate are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 118.34 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 99.6 cm3; (9)Molar Volume: 290.9 cm3; (10)Polarizability: 39.48×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.375 g/cm3; (13)Flash Point: 293.2 °C; (14)Enthalpy of Vaporization: 84.39 kJ/mol; (15)Boiling Point: 561.2 °C at 760 mmHg; (16)Vapour Pressure: 1.27E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2cc1c3cc(OC(=O)C)c(OC(=O)C)cc3oc1cc2OC(=O)C)C
(2)InChI: InChI=1S/C20H16O9/c1-9(21)25-17-5-13-14-6-18(26-10(2)22)20(28-12(4)24)8-16(14)29-15(13)7-19(17)27-11(3)23/h5-8H,1-4H3
(3)InChIKey: NFADNKIYRPQYJZ-UHFFFAOYSA-N