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CAS No.: | 78071-30-4 |
---|---|
Name: | 4-Methylthiophene-3-carboxylic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H6O2S |
Molecular Weight: | 142.178 |
Synonyms: | 4-METHYLTHIOPHENE-3-CARBOXYLIC ACID |
Density: | 1.32 g/cm3 |
Melting Point: | 136-138 °C |
Boiling Point: | 274.004 °C at 760 mmHg |
Flash Point: | 119.514 °C |
PSA: | 65.54000 |
LogP: | 1.75470 |
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The cas register number of 4-Methylthiophene-3-carboxylic acid is 78071-30-4. The Systematic name about this chemical is 4-methylthiophene-3-carboxylic acid.
Physical properties about 4-Methylthiophene-3-carboxylic acid are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.54Å2; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 36.392 cm3; (13)Molar Volume: 107.718 cm3; (14)Polarizability: 14.427x10-24cm3; (15)Surface Tension: 52.684 dyne/cm; (16)Enthalpy of Vaporization: 54.124 kJ/mol; (17)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cscc1C
(2)InChI: InChI=1/C6H6O2S/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3,(H,7,8)
(3)InChIKey: LRFIHWGUGBXFEC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H6O2S/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3,(H,7,8)
(5)Std. InChIKey: LRFIHWGUGBXFEC-UHFFFAOYSA-N