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2510-37-4

Basic Information
CAS No.: 2510-37-4
Name: 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 2510-37-4 (2,4-Dimethyl-1,3-oxazole-5-carboxylic acid)
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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Specification

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