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28686-90-0

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Basic Information
CAS No.: 28686-90-0
Name: METHYL 4-METHYLTHIOPHENE-2-CARBOXYLATE
Article Data: 15
Molecular Structure:
Molecular Structure of 28686-90-0 (METHYL 4-METHYLTHIOPHENE-2-CARBOXYLATE)
Formula: C7H8O2S
Molecular Weight: 156.205
Synonyms: Methyl 4-methyl-2-thiophenecarboxylate;
Density: 1.173 g/cm3
Boiling Point: 227.2 °C at 760 mmHg
Flash Point: 91.2 °C
PSA: 54.54000
LogP: 1.84310
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Specification

The CAS registry number of 2-Thiophenecarboxylicacid, 4-methyl-, methyl ester is 28686-90-0. The IUPAC name is methyl 4-methylthiophene-2-carboxylate. In addition, the molecular formula is C7H8O2S and the molecular weight is 156.20. It should be stored in a cool and dry place.

Physical properties about 2-Thiophenecarboxylicacid, 4-methyl-, methyl ester are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2.26; (3)ACD/LogD (pH 7.4): 2.26; (4)ACD/BCF (pH 5.5): 30.66; (5)ACD/BCF (pH 7.4): 30.66; (6)ACD/KOC (pH 5.5): 403.41; (7)ACD/KOC (pH 7.4): 403.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.54 Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 41.23 cm3; (13)Molar Volume: 133 cm3; (14)Polarizability: 16.34 ×10-24cm3; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.173 g/cm3; (17)Flash Point: 91.2 °C; (18)Enthalpy of Vaporization: 46.37 kJ/mol; (19)Boiling Point: 227.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0786 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1scc(c1)C
(2)InChI: InChI=1/C7H8O2S/c1-5-3-6(10-4-5)7(8)9-2/h3-4H,1-2H3
(3)InChIKey: YUJMWNYIBNSQPL-UHFFFAOYAJ