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| CAS No.: | 87776-76-9 |
|---|---|
| Name: | 2,3-Dihydro-5-benzofuranethanol |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | 2-(2,3-Dihydrobenzofuran-5-yl)ethanol;5-(2-Hydroxyethyl)-2,3-dihydrobenzofuran; |
| Density: | 1.173 g/cm3 |
| Boiling Point: | 294.8 ºC |
| Flash Point: | 135 ºC |
| PSA: | 29.46000 |
| LogP: | 1.15630 |
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Specification
The 2,3-Dihydro-5-benzofuranethanol, with the CAS registry number 87776-76-9, has the systematic name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
The physical properties of this chemical are as follows: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.54; (6)ACD/BCF (pH 7.4): 5.54; (7)ACD/KOC (pH 5.5): 118.5; (8)ACD/KOC (pH 7.4): 118.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 46.5 cm3; (15)Molar Volume: 139.8 cm3; (16)Polarizability: 18.43×10-24 cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 135 °C; (20)Enthalpy of Vaporization: 56.45 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000717 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:OCCc1cc2CCOc2cc1
(2)InChI:InChI=1/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7,11H,3-6H2
(3)InChIKey:IPSIYKHOHYJGMO-UHFFFAOYAH