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115299-08-6

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Basic Information
CAS No.: 115299-08-6
Name: 2-(3-METHOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 115299-08-6 (2-(3-METHOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER)
Formula: C13H13NO3S
Molecular Weight: 263.31
Synonyms: Ethyl 2-(3-methoxyphenyl)-1,3-thiazole-4-carboxylate;MFCD06738341;2-(3-Methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester;
Density: 1.22 g/cm3
Boiling Point: 408.041 °C at 760 mmHg
Flash Point: 200.576 °C
PSA: 76.66000
LogP: 2.99540
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Specification

The 4-Thiazolecarboxylicacid, 2-(3-methoxyphenyl)-, ethyl ester with CAS registry number of 115299-08-6 is also known as 2-(3-Methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester. The systematic name is Ethyl 2-(3-methoxyphenyl)-1,3-thiazole-4-carboxylate. In addition, the formula is C13H13NO3S and the molecular weight is 263.31.

Physical properties about 4-Thiazolecarboxylicacid, 2-(3-methoxyphenyl)-, ethyl ester are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 555; (5)ACD/BCF (pH 7.4): 555; (6)ACD/KOC (pH 5.5): 3207; (7)ACD/KOC (pH 7.4): 3207; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 70.405 cm3; (12)Molar Volume: 215.823 cm3; (13)Surface Tension: 45.082 dyne/cm; (14)Density: 1.22 g/cm3; (15)Flash Point: 200.576 °C; (16)Enthalpy of Vaporization: 66.001 kJ/mol; (17)Boiling Point: 408.041 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CCOC(=O)c1csc(n1)c2cc(ccc2)OC
2. InChI: InChI=1/C13H13NO3S/c1-3-17-13(15)11-8-18-12(14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
3. InChIKey: HOLLTDYJCZTSFF-UHFFFAOYAR