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CAS No.: | 23229-72-3 |
---|---|
Name: | 5-ETHYL-THIOPHENE-2-CARBOXYLIC ACID |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H8O2S |
Molecular Weight: | 156.205 |
Synonyms: | 5-Ethyl-2-thiophenecarboxylicacid; |
Density: | 1.257 g/cm3 |
Melting Point: | 69 °C |
Boiling Point: | 286.1 °C at 760 mmHg |
Flash Point: | 126.8 °C |
Appearance: | solid |
Hazard Symbols: | Xi |
PSA: | 65.54000 |
LogP: | 2.00870 |
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The 2-Thiophenecarboxylicacid, 5-ethyl-, with the CAS registry number 23229-72-3, is also known as ZINC00334224. This chemical's molecular formula is C7H8O2S and molecular weight is 156.20. Its IUPAC name is called 5-ethylthiophene-2-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Thiophenecarboxylicacid, 5-ethyl-: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): -0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 41.11 cm3; (13)Molar Volume: 124.2 cm3; (14)Surface Tension: 49.2 dyne/cm; (15)Density: 1.257 g/cm3; (16)Flash Point: 126.8 °C; (17)Enthalpy of Vaporization: 55.47 kJ/mol; (18)Boiling Point: 286.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00126 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(S1)C(=O)[O-]
(2)InChI: InChI=1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)/p-1
(3)InChIKey: ZVBNGIDVTPTFCL-UHFFFAOYSA-M