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75611-06-2

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Basic Information
CAS No.: 75611-06-2
Name: 2-BENZO[B]FURAN-3-YLETHANOL
Article Data: 19
Molecular Structure:
Molecular Structure of 75611-06-2 (2-BENZO[B]FURAN-3-YLETHANOL)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: 2-(1-Benzofuran-3-yl)ethanol;2-(Benzo[b]furan-3-yl)ethanol;
Density: 1.187 g/cm3
Boiling Point: 279.793 °C at 760 mmHg
Flash Point: 123.015 °C
PSA: 33.37000
LogP: 1.96760
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Specification

The 3-Benzofuranethanol is an organic compound with the formula C10H10O2. The systematic name of this chemical is 2-(benzofuran-3-yl)ethanol. With the CAS registry number 75611-06-2, it is also named as 2-(1-Benzofuran-3-yl)ethanol.

Physical properties about 3-Benzofuranethanol are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 195; (7)ACD/KOC (pH 7.4): 195; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 33.37 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 47.479 cm3; (14)Molar Volume: 136.667 cm3; (15)Polarizability: 18.822×10-24cm3; (16)Surface Tension: 47.302 dyne/cm; (17)Density: 1.187 g/cm3; (18)Flash Point: 123.015 °C; (19)Enthalpy of Vaporization: 54.766 kJ/mol; (20)Boiling Point: 279.793 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(co2)CCO
(2)InChI: InChI=1/C10H10O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
(3)InChIKey: QBEGKDXITSPUTE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H10O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
(5)Std. InChIKey: QBEGKDXITSPUTE-UHFFFAOYSA-N