Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
5-(4-Ethynylphenyl)oxazole; |
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