-
Name
7-HYDROXYBENZOFURAN
- EINECS 225-338-8
- CAS No. 4790-81-2
- Article Data20
- CAS DataBase
- Density 1.28g/cm3
- Solubility
- Melting Point 42 °C
- Formula C8H6O2
- Boiling Point 247.1 °C at 760 mmHg
- Molecular Weight 134.134
- Flash Point 103.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-Benzofuran-7-ol;7-Hydroxybenzofuran;benzofuran-7-ol;
- PSA 33.37000
- LogP 2.13840
7-Hydroxybenzofuran Specification
The 7-Hydroxybenzofuran, with CAS registry number 4790-81-2, has the systematic name of 1-benzofuran-7-ol. And its IUPAC name is the same one. And the chemical formula of this chemical C8H6O2. What's more, its EINECS is 225-338-8.
Physical properties of 7-Hydroxybenzofuran: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.35; (6)ACD/BCF (pH 7.4): 16.81; (7)ACD/KOC (pH 5.5): 268.37; (8)ACD/KOC (pH 7.4): 259.92; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.37 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 38.27 cm3; (15)Molar Volume: 104.7 cm3; (16)Polarizability: 15.17×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Enthalpy of Vaporization: 50.39 kJ/mol; (19)Vapour Pressure: 0.0166 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cccc1c2occ1
(2)InChI: InChI=1/C8H6O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H
(3)InChIKey: WXVRAHOQLYAQCR-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H6O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H
(5)Std. InChIKey: WXVRAHOQLYAQCR-UHFFFAOYSA-N
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