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61309-99-7

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Basic Information
CAS No.: 61309-99-7
Name: 2-Methyl-6-phenylbenzoxazole
Article Data: 2
Molecular Structure:
Molecular Structure of 61309-99-7 (2-Methyl-6-phenylbenzoxazole)
Formula: C14H11NO
Molecular Weight: 209.247
Synonyms: 2-METHYL-6-PHENYLBENZOXAZOLE;HMS2310G10;2-Methyl-6-phenyl-benzooxazole;
Density: 1.155 g/cm3
Boiling Point: 350 °C at 760 mmHg
Flash Point: 144.7 °C
PSA: 26.03000
LogP: 3.80320
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Specification

The 2-Methyl-6-phenylbenzoxazole with its cas register number is 61309-99-7. The Systematic name about this chemical is 2-methyl-6-phenyl-1,3-benzoxazole.

Physical properties about 2-Methyl-6-phenylbenzoxazole are: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 3.58; (4)ACD/BCF (pH 5.5): 309.34; (5)ACD/BCF (pH 7.4): 309.38; (6)ACD/KOC (pH 5.5): 2109.83; (7)ACD/KOC (pH 7.4): 2110.06; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 63.9 cm3; (13)Molar Volume: 181.1 cm3; (14)Polarizability: 25.33x10-24cm3; (15)Surface Tension: 45.4 dyne/cm; (16)Enthalpy of Vaporization: 57.11 kJ/mol; (17)Vapour Pressure: 9.16E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccc(cc2oc1C)c3ccccc3
(2)InChI: InChI=1/C14H11NO/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
(3)InChIKey: OZMVIYVBZSEPDZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H11NO/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
(5)Std. InChIKey: OZMVIYVBZSEPDZ-UHFFFAOYSA-N