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Thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylicacid, 2,3-dihydro- (18361-03-0)

Identification
Name:Thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylicacid, 2,3-dihydro-
Synonyms:Thieno[3,4-b]-p-dioxin-5,7-dicarboxylicacid, 2,3-dihydro- (8CI);2,3-Dihydrothieno[3,4-b]-1,4-dioxin-5,7-dicarboxylicacid;3,4-Ethylenedioxy-2,5-thiophenedicarboxylic acid;
CAS:18361-03-0
Molecular Formula: C8H6O6S
Molecular Weight: 230.19
Molecular Structure: (C8H6O6S) Thieno[3,4-b]-p-dioxin-5,7-dicarboxylicacid, 2,3-dihydro- (8CI);2,3-Dihydrothieno[3,4-b]-1,4-dioxin-...
Properties
Density:1.732 g/cm3
Specification:

The 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene, its cas register number is 18361-03-0. It also can be called as 2,3-Dihydro-thieno[3,4-b]-p-dioxin-5,7-dicarboxylic acid and the IUPAC name about this chemicals is 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid. It belongs to the following product categories, such as Thiophenes, API intermediates and so on.

Following are the chemical properties about 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 99.3Å2; (5)Index of Refraction: 1.663; (6)Molar Refractivity: 49.27 cm3; (7)Molar Volume: 132.8 cm3; (8)Polarizability: 19.53x10-24cm3; (9)Surface Tension: 90.6 dyne/cm; (10)Enthalpy of Vaporization: 78.73 kJ/mol; (11)Vapour Pressure: 4.01E-10 mmHg at 25°C

This chemical can be described computed from 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

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