-
Name
5-(4-HYDROXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- EINECS
- CAS No. 391248-24-1
- Density 1.27g/cm3
- Solubility
- Melting Point
- Formula C12H11NO4
- Boiling Point 410.2 °C at 760 mmHg
- Molecular Weight 233.22
- Flash Point 201.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms ethyl 5-(4-hydroxyphenyl)oxazole-4-carboxylate;REF DUPL: 5-(4-Hydroxy-phenyl)-oxazole-4-carboxylic acid ethyl ester;4-Oxazolecarboxylic acid, 5-(4-hydroxyphenyl)-, ethyl ester
- PSA 72.56000
- LogP 2.22390
4-Oxazolecarboxylicacid, 5-(4-hydroxyphenyl)-, ethyl ester Specification
The 4-Oxazolecarboxylicacid, 5-(4-hydroxyphenyl)-, ethyl ester, with CAS registry number 391248-24-1, has the systematic name of . Besides this, it is also called 5-(4-Hydroxy-phenyl)-oxazole-4-carboxylic acid ethyl ester. And the chemical formula of this chemical is C12H11NO4.
Physical properties of 4-Oxazolecarboxylicacid, 5-(4-hydroxyphenyl)-, ethyl ester: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.03; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 72.56 Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 59.52 cm3; (11)Molar Volume: 183.5 cm3; (12)Polarizability: 23.59×10-24cm3; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 201.9 °C; (16)Enthalpy of Vaporization: 68.82 kJ/mol; (17)Boiling Point: 410.2 °C at 760 mmHg; (18)Vapour Pressure: 2.59E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncoc2c1ccc(O)cc1
(2)InChI: InChI=1/C12H11NO4/c1-2-16-12(15)10-11(17-7-13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
(3)InChIKey: MWGLPVVMBIZBNR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H11NO4/c1-2-16-12(15)10-11(17-7-13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
(5)Std. InChIKey: MWGLPVVMBIZBNR-UHFFFAOYSA-N
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