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17133-95-8

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Basic Information
CAS No.: 17133-95-8
Name: 2-Ethyl-5-methylbenzofuran
Article Data: 2
Molecular Structure:
Molecular Structure of 17133-95-8 (2-Ethyl-5-methylbenzofuran)
Formula: C11H12O
Molecular Weight: 160.216
Synonyms: 2-Ethyl-5-methylbenzofuran;2-ethyl-5-methyl-1-benzofuran;
Density: 1.030
Boiling Point: 237 ºC
Flash Point: 95 ºC
PSA: 13.14000
LogP: 3.30360
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Specification

The 2-Ethyl-5-methylbenzofuran, with the cas registry number 17133-95-8, has the systematic name of 2-ethyl-5-methyl-1-benzofuran. It belongs to the product categoties of Heterocycles and Heterocyclic Compound. And the molecular formula of the chemical is C11H12O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 798.62; (6)ACD/BCF (pH 7.4): 798.62; (7)ACD/KOC (pH 5.5): 4160.05; (8)ACD/KOC (pH 7.4): 4160.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.76 cm3; (15)Molar Volume: 155.4 cm3; (16)Polarizability: 20.12×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 95.1 °C; (20)Enthalpy of Vaporization: 45.43 kJ/mol; (21)Boiling Point: 236.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0717 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc2cc(CC)oc2cc1
(2)InChI: InChI=1/C11H12O/c1-3-10-7-9-6-8(2)4-5-11(9)12-10/h4-7H,3H2,1-2H3
(3)InChIKey: GQHVHQOJJFDUKW-UHFFFAOYAG