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2,3,4,5-Thiophenetetracarboxylicacid

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Name

2,3,4,5-Thiophenetetracarboxylicacid

EINECS N/A
CAS No. 4506-94-9 Density 2.016 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H4O8S Boiling Point 624°C at 760 mmHg
Molecular Weight 260.181 Flash Point 331.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4506-94-9 (thiophene-2,3,4,5-tetracarboxylic acid) Hazard Symbols N/A
Synonyms

N/A

 

2,3,4,5-Thiophenetetracarboxylicacid 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

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