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CAS No.: | 143659-19-2 |
---|---|
Name: | 5-(4-METHYLPHENYL)-1,3-OXAZOLE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H9NO |
Molecular Weight: | 159.188 |
Synonyms: | 5-(4-METHYLPHENYL)-1,3-OXAZOLE;5-(4-METHYLPHENYL)OXAZOLE;4-(1,3-Oxazol-5-yl)toluene |
Density: | 1.082 g/cm3 |
Melting Point: | 65-67 °C |
Boiling Point: | 273.9 °C at 760 mmHg |
Flash Point: | 108.6 °C |
Hazard Symbols: | Xi |
PSA: | 26.03000 |
LogP: | 2.65000 |
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The Oxazole,5-(4-methylphenyl)- is an organic compound with the formula C10H9NO. The systematic name of this chemical is 5-(4-methylphenyl)-1,3-oxazole. With the CAS registry number 143659-19-2, it is also named as 4-(1,3-Oxazol-5-yl)toluene.
Physical properties about Oxazole,5-(4-methylphenyl)- are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.34; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 35.19; (5)ACD/BCF (pH 7.4): 35.2; (6)ACD/KOC (pH 5.5): 445.23; (7)ACD/KOC (pH 7.4): 445.23; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 46.06 cm3; (13)Molar Volume: 147 cm3; (14)Polarizability: 18.25×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.082 g/cm3; (17)Flash Point: 108.6 °C; (18)Enthalpy of Vaporization: 49.16 kJ/mol; (19)Boiling Point: 273.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00936 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(oc1)c2ccc(cc2)C
(2)InChI: InChI=1/C10H9NO/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
(3)InChIKey: VKPVBCSBGBAMCJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
(5)Std. InChIKey: VKPVBCSBGBAMCJ-UHFFFAOYSA-N