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Name |
2,3-Thiophenedicarboxylicacid |
EINECS | N/A |
CAS No. | 1451-95-2 | Density | 1.655 g/cm3 |
PSA | 102.84000 | LogP | 1.14450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4O4S | Boiling Point | 405.9 °C at 760 mmHg |
Molecular Weight | 172.161 | Flash Point | 199.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 81792; |
Article Data | 2 |
The 2,3-Thiophenedicarboxylicacid is an organic compound with the formula C6H4O4S. The IUPAC name of this chemical is thiophene-2,3-dicarboxylic acid. With the CAS registry number 1451-95-2, it is also named as 2,3-thiophenedicarboxylic acid.
Physical properties about 2,3-Thiophenedicarboxylicacid are: (1)ACD/LogP: 0.42; (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: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 80.84 Å2; (10)Index of Refraction: 1.662; (11)Molar Refractivity: 38.49 cm3; (12)Molar Volume: 103.9 cm3; (13)Polarizability: 15.26×10-24cm3; (14)Surface Tension: 83.9 dyne/cm; (15)Density: 1.655 g/cm3; (16)Flash Point: 199.3 °C; (17)Enthalpy of Vaporization: 69.34 kJ/mol; (18)Boiling Point: 405.9 °C at 760 mmHg; (19)Vapour Pressure: 2.57E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sccc1C(=O)O
(2)InChI: InChI=1/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(3)InChIKey: HIHKYDVSWLFRAY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(5)Std. InChIKey: HIHKYDVSWLFRAY-UHFFFAOYSA-N