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65540-83-2

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Basic Information
CAS No.: 65540-83-2
Name: 3-(Benzoxazol-2-yl)benzyl alcohol
Article Data: 3
Molecular Structure:
Molecular Structure of 65540-83-2 (3-(Benzoxazol-2-yl)benzyl alcohol)
Formula: C14H11NO2
Molecular Weight: 225.247
Synonyms: Benzenemethanol, 3-(2-benzoxazolyl)-;
Density: 1.261 g/cm3
Boiling Point: 385.759 °C at 760 mmHg
Flash Point: 187.1 °C
PSA: 46.26000
LogP: 2.98710
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Specification

The 3-(Benzoxazol-2-yl)benzyl alcohol, with the CAS registry number 65540-83-2, is also known as Benzenemethanol, 3-(2-benzoxazolyl)-. This chemical's molecular formula is C14H11NO2 and molecular weight is 225.2426. What's more, its systematic name is [3-(1, 3-Benzoxazol-2-yl)phenyl]methanol.

Physical properties about 3-(Benzoxazol-2-yl)benzyl alcohol are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 83; (6)ACD/BCF (pH 7.4): 83; (7)ACD/KOC (pH 5.5): 823; (8)ACD/KOC (pH 7.4): 823; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 65.53 cm3; (15)Molar Volume: 178.669 cm3; (16)Polarizability: 25.978×10-24 cm3; (17)Surface Tension: 54.806 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 187.1 °C; (20)Enthalpy of Vaporization: 66.936 kJ/mol; (21)Boiling Point: 385.759 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cccc(c1)c2nc3ccccc3o2
(2) InChI: InChI=1/C14H11NO2/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-8,16H,9H2
(3) InChIKey: ISXYEFBBGCZMAE-UHFFFAOYAS