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| CAS No.: | 4506-94-9 |
|---|---|
| Name: | thiophene-2,3,4,5-tetracarboxylic acid |
| Molecular Structure: | |
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| Formula: | C8H4O8S |
| Molecular Weight: | 260.181 |
| Density: | 2.016 g/cm3 |
| Boiling Point: | 624°C at 760 mmHg |
| Flash Point: | 331.2 °C |
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Specification
The CAS registry number of 2,3,4,5-Thiophenetetracarboxylicacid is 4506-94-9. Its molecular formula is C8H4O8S and molecular weight is 260.1776. Its systematic name is called thiophene-2,3,4,5-tetracarboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: -1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.746; (11)Molar Refractivity: 52.35 cm3; (12)Molar Volume: 129 cm3; (13)Surface Tension: 133.9 dyne/cm; (14)Density: 2.016 g/cm3; (15)Enthalpy of Vaporization: 97.15 kJ/mol; (16)Boiling Point: 624°C at 760 mmHg; (17)Flash Point: 331.2 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(c(sc1C(=O)O)C(=O)O)C(=O)O
(2)InChI: InChI=1/C8H4O8S/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h(H,9,10)(H,11,12)(H,13,14)(H,15,16)
(3)InChIKey: LUEGQDUCMILDOJ-UHFFFAOYAU