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32998-97-3

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Basic Information
CAS No.: 32998-97-3
Name: 5-PHENYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Article Data: 11
Molecular Structure:
Molecular Structure of 32998-97-3 (5-PHENYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER)
Formula: C12H11NO3
Molecular Weight: 217.224
Synonyms: Ethyl 5-phenyl-4-oxazolecarboxylate;Ethyl 5-phenyl-1,3-oxazole-4-carboxylate;
Density: 1.173 g/cm3
Boiling Point: 364.2 °C at 760 mmHg
Flash Point: 174.1 °C
PSA: 52.33000
LogP: 2.51830
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Specification

The 4-Oxazolecarboxylicacid, 5-phenyl-, ethyl ester, with the CAS registry number 32998-97-3, is also known as Ethyl 5-phenyl-4-oxazolecarboxylate. This chemical's molecular formula is C12H11NO3 and molecular weight is 217.22. What's more, its systematic name is ethyl 5-phenyl-1,3-oxazole-4-carboxylate.

Physical properties of 4-Oxazolecarboxylicacid, 5-phenyl-, ethyl ester are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.64; (6)ACD/BCF (pH 7.4): 14.64; (7)ACD/KOC (pH 5.5): 237.69; (8)ACD/KOC (pH 7.4): 237.69; (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: 174.1 °C; (20)Enthalpy of Vaporization: 61.04 kJ/mol; (21)Boiling Point: 364.2 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncoc2c1ccccc1
(2)Std. InChI: InChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
(3)Std. InChIKey: LFBYYERWTHYROG-UHFFFAOYSA-N