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| CAS No.: | 23681-89-2 |
|---|---|
| Name: | 2,3-Dihydrobenzofuran-6-ol |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H8O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | 6-Hydroxycoumaran; |
| Density: | 1.261 g/cm3 |
| Boiling Point: | 272.944 °C at 760 mmHg |
| Flash Point: | 133.433 °C |
| PSA: | 29.46000 |
| LogP: | 1.32710 |
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Specification
The 2,3-Dihydrobenzofuran-6-ol, with the CAS registry number of 23681-89-2, is also known as 6-Hydroxycoumaran. This chemical's molecular formula is C8H8O2 and molecular weight is 136.14792.
Physical properties about the 2,3-Dihydrobenzofuran-6-ol are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 160; (8)ACD/KOC (pH 7.4): 160; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 37.302 cm3; (15)Molar Volume: 107.998 cm3; (16)Surface Tension: 54.234 dyne/cm; (17)Density: 1.261 g/cm3; (18)Flash Point: 133.433 °C; (19)Enthalpy of Vaporization: 53.184 kJ/mol; (20)Boiling Point: 272.944 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc2CCOc2c1
(2) InChI: InChI=1/C8H8O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,9H,3-4H2
(3) InChIKey: IAFNMXBIRZBSFU-UHFFFAOYAJ