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CAS No.: | 1918-78-1 |
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Name: | 2-METHYL-THIOPHENE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C6H6O2S |
Molecular Weight: | 142.178 |
Synonyms: | 2-Methyl-3-thiophenecarboxylic acid;2-Methyl-3-thenoicacid; |
EINECS: | 200-258-5 |
Density: | 1.32 g/cm3 |
Melting Point: | 106-111 °C |
Boiling Point: | 271.527 °C at 760 mmHg |
Flash Point: | 118.016 °C |
PSA: | 65.54000 |
LogP: | 1.75470 |
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The 3-Thiophenecarboxylicacid, 2-methyl-, with the CAS registry number 1918-78-1, is also known as 2-Methyl-thiophene-3-carboxylic acid. This chemical's molecular formula is C6H6O2S and molecular weight is 142.1756. Its systematic name is called 2-methylthiophene-3-carboxylic acid.
Physical properties of 3-Thiophenecarboxylicacid, 2-methyl-: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): -0.78; (4)ACD/BCF (pH 5.5): 1.48; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 36.39 cm3; (13)Molar Volume: 107.7 cm3; (14)Surface Tension: 52.6 dyne/cm; (15)Density: 1.319 g/cm3; (16)Flash Point: 118 °C; (17)Enthalpy of Vaporization: 53.85 kJ/mol; (18)Boiling Point: 271.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00314 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(scc1)C
(2)InChI: InChI=1/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
(3)InChIKey: YJZOPBSZDIBXBG-UHFFFAOYAW