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102611-86-9

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Basic Information
CAS No.: 102611-86-9
Name: 3-(1-Methylethyl)-5-Benzofuranol
Molecular Structure:
Molecular Structure of 102611-86-9 (3-(1-Methylethyl)-5-Benzofuranol)
Formula: C11H12O2
Molecular Weight: 176.21178
Synonyms: 3-Isopropylbenzofuran-5-ol;
Density: 1.138 g/cm3
Boiling Point: 277.469 °C at 760 mmHg
Flash Point: 121.61 °C
PSA: 33.37000
LogP: 3.26180
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    3-(1-METHYLETHYL)-5-BENZOFURANOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of 102611-86-9 is called 5-Benzofuranol,3-(1-methylethyl)- . The IUPAC name is 3-Isopropylbenzofuran-5-ol. In addition, the formula is C11H12O2 and the molecular weight is 176.21178.

Physical properties about this chemical are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.701; (4)ACD/LogD (pH 7.4): 3.697; (5)ACD/BCF (pH 5.5): 382.323; (6)ACD/BCF (pH 7.4): 378.853; (7)ACD/KOC (pH 5.5): 2455.238; (8)ACD/KOC (pH 7.4): 2432.954; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.37 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 52.462 cm3; (15)Molar Volume: 154.846 cm3; (16)Polarizability: 20.797 ×10-24cm3; (17)Surface Tension: 42.405 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 121.61 °C; (20)Enthalpy of Vaporization: 53.678 kJ/mol; (21)Boiling Point: 277.469 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1coc2c1cc(cc2)O
(2)InChI: InChI=1/C11H12O2/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7,12H,1-2H3
(3)InChIKey: QDVFZAYPPNVADK-UHFFFAOYAO