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Oxazole,5-(4-ethynylphenyl)-

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Name

Oxazole,5-(4-ethynylphenyl)-

EINECS N/A
CAS No. 501944-63-4 Density 1.18 g/cm3
PSA 26.03000 LogP 2.32290
Solubility N/A Melting Point 75.5-77.5 ºC
Formula C11H7NO Boiling Point 290.1 °C at 760 mmHg
Molecular Weight 169.183 Flash Point 116.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 501944-63-4 (5-(4-ETHYNYLPHENYL)-1,3-OXAZOLE) Hazard Symbols N/A
Synonyms

5-(4-Ethynylphenyl)oxazole;

 

Oxazole,5-(4-ethynylphenyl)- Specification

The Oxazole,5-(4-ethynylphenyl)- has the CAS registry number 501944-63-4. This chemical's molecular formula is C11H7NO and molecular weight is 169.18. What's more, its systematic name is 5-(4-ethynylphenyl)-1,3-oxazole.

Physical properties of Oxazole,5-(4-ethynylphenyl)- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/BCF (pH 5.5): 21.62; (5)ACD/KOC (pH 5.5): 314.16; (6)ACD/KOC (pH 7.4): 314.17; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 48.8 cm3; (13)Molar Volume: 142.9 cm3; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.18 g/cm3; (16)Flash Point: 116.3 °C; (17)Enthalpy of Vaporization: 50.82 kJ/mol; (18)Boiling Point: 290.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00367 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)c2cnco2
(2)InChI: InChI=1S/C11H7NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H
(3)InChIKey: CYRYZDZQFDRTHD-UHFFFAOYSA-N

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