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| CAS No.: | 33123-68-1 |
|---|---|
| Name: | Oxazole-2-carboxylic acid |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H9NO3 |
| Molecular Weight: | 113.07 |
| Synonyms: | Ethyl 5-methyl-1,3-oxazole-2-carboxylate; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 218.083 °C at 760 mmHg |
| Flash Point: | 85.694 °C |
| PSA: | 52.33000 |
| LogP: | 1.15970 |
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Specification
The 2-Oxazolecarboxylicacid, 5-methyl-, ethyl ester, with the CAS registry number 33123-68-1, is also known as 5-Methyl-2-oxazolecarboxylic acid ethyl ester. This chemical's molecular formula is C7H9NO3 and molecular weight is 155.1513. What's more, its systematic name is called Ethyl 5-methyl-1,3-oxazole-2-carboxylate.
Physical properties about 2-Oxazolecarboxylicacid, 5-methyl-, ethyl ester are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.183; (5)ACD/BCF (pH 5.5): 4.669; (6)ACD/BCF (pH 7.4): 4.669; (7)ACD/KOC (pH 5.5): 104.879; (8)ACD/KOC (pH 7.4): 104.879; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 37.875 cm3; (15)Molar Volume: 136.126 cm3; (16)Surface Tension: 37.866 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 85.694 °C; (19)Enthalpy of Vaporization: 45.447 kJ/mol; (20)Boiling Point: 218.083 °C at 760 mmHg; (21)Vapour Pressure: 0.128 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ncc(o1)C
(2) InChI: InChI=1/C7H9NO3/c1-3-10-7(9)6-8-4-5(2)11-6/h4H,3H2,1-2H3
(3) InChIKey: AVQLWUGRGBPYLN-UHFFFAOYAE