Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester |
EINECS | 604-604-1 |
CAS No. | 39819-39-1 | Density | 1.173 g/cm3 |
PSA | 52.33000 | LogP | 2.51830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H11NO3 | Boiling Point | 340 °C at 760 mmHg |
Molecular Weight | 217.224 | Flash Point | 159.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Phenyl-4-oxazolecarboxylicacid ethyl ester;Ethyl 2-phenyl-4-oxazolecarboxylate; |
Article Data | 27 |
The 4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester, with the CAS registry number 39819-39-1, is also known as 2-Phenyl-oxazole-4-carboxylic acid ethyl ester. Its molecular formula is C12H11NO3 and its molecular weight is 217.22. Additionally, its systematic name is ethyl 2-phenyl-1,3-oxazole-4-carboxylate.
Other characteristics of the 4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.25; (6)ACD/BCF (pH 7.4): 89.25; (7)ACD/KOC (pH 5.5): 866.7; (8)ACD/KOC (pH 7.4): 866.7; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 57.64 cm3; (15)Molar Volume: 185.1 cm3; (16)Polarizability: 22.85×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 159.4 °C; (20)Enthalpy of Vaporization: 58.35 kJ/mol; (21)Boiling Point: 340 °C at 760 mmHg; (22)Vapour Pressure: 8.86E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1nc(oc1)c2ccccc2
2.InChI: InChI=1/C12H11NO3/c1-2-15-12(14)10-8-16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
3.InChIKey: OMURDPWNJICYDW-UHFFFAOYAB