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5-Phenyl-1,3-oxazole-4-methanol

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Name

5-Phenyl-1,3-oxazole-4-methanol

EINECS N/A
CAS No. 352018-88-3 Density 1.211 g/cm3
PSA 46.26000 LogP 1.83390
Solubility N/A Melting Point 95 °C
Formula C10H9NO2 Boiling Point 366.6 °C at 760 mmHg
Molecular Weight 175.187 Flash Point 175.5 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 352018-88-3 (5-Phenyl-1,3-oxazole-4-methanol) Hazard Symbols N/A
Synonyms

(5-Phenyl-1,3-oxazol-4-yl)methanol;4-oxazolemethanol, 5-phenyl-;(5-Phenyloxazol-4-yl)methanol;

 

5-Phenyl-1,3-oxazole-4-methanol Specification

The 5-Phenyl-1,3-oxazole-4-methanol, with the CAS registry number 352018-88-3, has the systematic name of (5-phenyl-1,3-oxazol-4-yl)methanol. And the molecular formula of the chemical is C10H9NO2. While dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of 5-Phenyl-1,3-oxazole-4-methanol are as followings: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.8; (8)ACD/KOC (pH 7.4): 56.8; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.26 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 47.68 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 18.9×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 64.68 kJ/mol; (21)Boiling Point: 366.6 °C at 760 mmHg; (22)Vapour Pressure: 5.08E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc2ncoc2c1ccccc1
(2)InChI: InChI=1/C10H9NO2/c12-6-9-10(13-7-11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
(3)InChIKey: LVHWTAMRDRDXJP-UHFFFAOYAC

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