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| CAS No.: | 5118-07-0 |
|---|---|
| Name: | 3-Hydroxythiophene-2-carboxylic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H4O3S |
| Molecular Weight: | 144.151 |
| Synonyms: | 3-Hydroxythiophene-2-carboxylicacid;3-hydroxythiophene-2-carboxylic acid;3-hydroxythiophene-2-carboxylic acid; |
| Density: | 1.604 g/cm3 |
| Melting Point: | 108 °C(Solv: acetone (67-64-1)) |
| Boiling Point: | 326.374 °C at 760 mmHg |
| Flash Point: | 151.186 °C |
| Hazard Symbols: | Xi |
| PSA: | 85.77000 |
| LogP: | 1.15190 |
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Specification
The 2-Thiophenecarboxylicacid, 3-hydroxy-, with the CAS registry number 5118-07-0, has the systematic name of 3-hydroxythiophene-2-carboxylic acid. It belongs to the following product categories: Carboxylic Acids; Thiophenes & Benzothiophenes; Carboxylic Acids; Thiophenes & Benzothiophenes. And the molecular formula of the chemical is C5H4O3S.
The characteristics of 2-Thiophenecarboxylicacid, 3-hydroxy- are as followings: (1)ACD/LogP: 2.19; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 85.77 Å2; (11)Index of Refraction: 1.667; (12)Molar Refractivity: 33.449 cm3; (13)Molar Volume: 89.872 cm3; (14)Polarizability: 13.26×10-24cm3; (15)Surface Tension: 78.573 dyne/cm; (16)Density: 1.604 g/cm3; (17)Flash Point: 151.186 °C; (18)Enthalpy of Vaporization: 60.02 kJ/mol; (19)Boiling Point: 326.374 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1csc(c1O)C(=O)O
(2)InChI: InChI=1/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8)
(3)InChIKey: RVDUJCGAAPQDBO-UHFFFAOYAW