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45676-69-5

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Basic Information
CAS No.: 45676-69-5
Name: 5-METHYLOXAZOLE-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 45676-69-5 (5-METHYLOXAZOLE-2-CARBOXYLIC ACID)
Formula: C5H5NO3
Molecular Weight: 127.10
Synonyms: 5-Methyloxazole-2-carboxylic acid;
Density: 1.348 g/cm3
Boiling Point: 288.365 °C at 760 mmHg
Flash Point: 128.199 °C
PSA: 63.33000
LogP: 0.68120
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Specification

The cas register number of 5-Methyloxazole-2-carboxylic acid is 45676-69-5. It also can be called as 2-Oxazolecarboxylicacid, 5-methyl- and the Systematic name about this chemical is 5-methyl-1,3-oxazole-2-carboxylic acid.

Physical properties about 5-Methyloxazole-2-carboxylic acid are: (1)ACD/LogP: 0.15; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.33Å2; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 28.399 cm3; (12)Molar Volume: 94.256 cm3; (13)Polarizability: 11.258x10-24cm3; (14)Surface Tension: 53.715 dyne/cm; (15)Enthalpy of Vaporization: 55.722 kJ/mol; (16)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncc(C)o1
(2)InChI: InChI=1/C5H5NO3/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
(3)InChIKey: ODPPPGVWSBDXFN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5NO3/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
(5)Std. InChIKey: ODPPPGVWSBDXFN-UHFFFAOYSA-N