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Basic Information
CAS No.: 59664-03-8
Name: 2-Acetyl-7-ethylbenzofuran
Molecular Structure:
Molecular Structure of 59664-03-8 (2-Acetyl-7-ethylbenzofuran)
Formula: C12H12O2
Molecular Weight: 188.226
Synonyms: 1-(7-Ethyl-1-benzofuran-2-yl)ethanone;
Density: 1.103 g/cm3
Melting Point: 54-56 °C
Boiling Point: 290.363 °C at 760 mmHg
Flash Point: 131.562 °C
PSA: 30.21000
LogP: 3.19780
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Specification

The Ethanone, 1-(7-ethyl-2-benzofuranyl)- with CAS registry number of 59664-03-8 is also known as 2-Acetyl-7-ethylbenzofuran. The systematic name is 1-(7-Ethyl-1-benzofuran-2-yl)ethanone. In addition, the formula is C12H12O2 and the molecular weight is 188.22. What's more, this chemical is used as intermediate in the production of bufuralol hydrochloride.

Physical properties about Ethanone, 1-(7-ethyl-2-benzofuranyl)- are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 136; (5)ACD/BCF (pH 7.4): 136; (6)ACD/KOC (pH 5.5): 1169; (7)ACD/KOC (pH 7.4): 1169; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2 ; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 55.972 cm3; (12)Molar Volume: 170.691 cm3; (13)Surface Tension: 39.112 dyne/cm; (14)Density: 1.103 g/cm3; (15)Flash Point: 131.562 °C; (16)Enthalpy of Vaporization: 52.973 kJ/mol; (17)Boiling Point: 290.363 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)c1cc2cccc(CC)c2o1
2. InChI: InChI=1/C12H12O2/c1-3-9-5-4-6-10-7-11(8(2)13)14-12(9)10/h4-7H,3H2,1-2H3
3. InChIKey: JTUMBVQDEFOAHR-UHFFFAOYAF
4. Std. InChI: InChI=1S/C12H12O2/c1-3-9-5-4-6-10-7-11(8(2)13)14-12(9)10/h4-7H,3H2,1-2H3
5. Std. InChIKey: JTUMBVQDEFOAHR-UHFFFAOYSA-N