4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester supplier

Name
2-PHENYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
EINECS 604-604-1
CAS No. 39819-39-1
Article Data27
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₃
Boiling Point 340 °C at 760 mmHg
Molecular Weight 217.224
Flash Point 159.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Phenyl-4-oxazolecarboxylicacid ethyl ester;Ethyl 2-phenyl-4-oxazolecarboxylate;
PSA 52.33000
LogP 2.51830

4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester Specification

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 C₁₂H₁₁NO₃and 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

Product Name

2-PHENYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

4-Oxazolecarboxylicacid, 2-phenyl-, ethyl ester Specification

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