CAS No.108347-23-5,2,5-Dicarboxylic acid-3,4-ethylenedioxythiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108347-23-5
Name:	2,5-Dicarboxylic acid-3,4-ethylenedioxythiophene

Formula:	C₈H₆O₆S
Molecular Weight:	230.20
Synonyms:	2,5-Dicarboxylic acid-3,4-ethylenedioxythiophene;
Density:	1.732 g/cm³
Boiling Point:	482.6 °C at 760 mmHg
Flash Point:	245.6 °C
PSA:	121.30000
LogP:	0.91570

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Specification

The cas register number of 2,5-Dicarboxylic acid-3,4-ethylenedioxythiophene is 108347-23-5. It also can be called as 1,4-Pentalenedione,2,6a-dihydro-6a-(sulfooxy)- and the Systematic name about this chemical is 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid.

Physical properties about 2,5-Dicarboxylic acid-3,4-ethylenedioxythiophene are: (1)ACD/LogP: 0.79; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 99.3 Å²; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 49.27 cm³; (12)Molar Volume: 132.8 cm³; (13)Polarizability: 19.53x10^-24cm³; (14)Surface Tension: 90.6 dyne/cm; (15)Enthalpy of Vaporization: 78.73 kJ/mol; (16)Boiling Point: 482.6 °C at 760 mmHg; (17)Vapour Pressure: 4.01E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(c2OCCOc12)C(=O)O
(2)InChI: InChI=1/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)
(3)InChIKey: NWIYUAISDYJVMZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)
(5)Std. InChIKey: NWIYUAISDYJVMZ-UHFFFAOYSA-N