CAS No.1216012-87-1,2-Methyl-oxazole-5-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1216012-87-1
Name:	2-Methyl-oxazole-5-carboxylic acid

Formula:	C₅H₅NO₃
Molecular Weight:	127.0981
Synonyms:	Methyloxazole-5-carboxylate;
Density:	1.348 g/cm³
Melting Point:	184-186 °C
Boiling Point:	269.9 °C at 760 mmHg
Flash Point:	117 °C
PSA:	63.33000
LogP:	0.68120

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Specification

The 2-Methyl-5-Oxazolecarboxylic acid, with the CAS registry number of 1216012-87-1, is also known as Methyloxazole-5-carboxylate. Its molecular formula is C₅H₅NO₃ and molecular weight is 127.0981. What's more, its systematic name is 2-Methyl-1,3-oxazole-5-carboxylic acid.

Physical properties about the 2-Methyl-5-Oxazolecarboxylic acid are: (1)# of Rule of 5 Violations: 0; (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: 63.33 Å²; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 28.39 cm³; (12)Molar Volume: 94.2 cm³; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.348 g/cm³; (15)Flash Point: 117 °C; (16)Enthalpy of Vaporization: 53.66 kJ/mol; (17)Boiling Point: 269.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00349 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cnc(C)o1
(2) InChI: InChI=1/C5H5NO3/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
(3) InChIKey: MARKCZHBQSQUHU-UHFFFAOYAE