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CAS No.: | 2510-37-4 |
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Name: | 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H7NO3 |
Molecular Weight: | 141.126 |
Synonyms: | AKOS A0602-0416;OTAVA-BB 7118560799;UKRORGSYN-BB BBV-156622; |
Density: | 1.276 g/cm3 |
Melting Point: | 247 °C (decomp) |
Boiling Point: | 278.5 °C at 760 mmHg |
Flash Point: | 122.3 °C |
PSA: | 63.33000 |
LogP: | 0.98960 |
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The 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid is an organic compound with the formula C6H7NO3. The IUPAC name of this chemical is 2,4-dimethyl-1,3-oxazole-5-carboxylic acid. With the CAS registry number 2510-37-4, it is also named as 5-oxazolecarboxylic acid, 2,4-dimethyl-.
Physical properties about 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid are: (1)ACD/LogP: 0.31; (2)ACD/LogD (pH 5.5): -2.19; (3)ACD/LogD (pH 7.4): -2.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 52.33 Å2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 33.22 cm3; (14)Molar Volume: 110.5 cm3; (15)Polarizability: 13.17×10-24cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.276 g/cm3; (18)Flash Point: 122.3 °C; (19)Enthalpy of Vaporization: 54.63 kJ/mol; (20)Boiling Point: 278.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00203 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1oc(nc1C)C
(2)InChI: InChI=1/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
(3)InChIKey: JLSFKHJNJFXGAB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
(5)Std. InChIKey: JLSFKHJNJFXGAB-UHFFFAOYSA-N