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66333-88-8

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Basic Information
CAS No.: 66333-88-8
Name: Oxazole, 5-methyl-
Article Data: 6
Molecular Structure:
Molecular Structure of 66333-88-8 (Oxazole, 5-methyl-)
Formula: C4H5NO
Molecular Weight: 83.0898
Synonyms: 5-Methyloxazole;
Density: 1.016 g/cm3
Boiling Point: 88 °C at 760 mmHg
Flash Point: 20.5 °C
PSA: 26.03000
LogP: 0.98300
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Specification

The Oxazole, 5-methyl-, also known as 4-Methyl-1,3-oxazole, is an organic compound with the formula C4H5NO. With the CAS registry number 66333-88-8, its IUPAC name is 4-methyl-1,3-oxazole.

Physical properties of Oxazole, 5-methyl-: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 1.62; (5)ACD/BCF (pH 7.4): 1.63; (6)ACD/KOC (pH 5.5): 49.26; (7)ACD/KOC (pH 7.4): 49.27; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.438; (10)Molar Refractivity: 21.46 cm3; (11)Molar Volume: 81.7 cm3; (12)Surface Tension: 31.1 dyne/cm; (13)Density: 1.016 g/cm3; (14)Flash Point: 20.5 °C; (15)Enthalpy of Vaporization: 31.45 kJ/mol; (16)Boiling Point: 88 °C at 760 mmHg; (17)Vapour Pressure: 70.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=COC=N1
(2)InChI: InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3
(3)InChIKey: PUMREIFKTMLCAF-UHFFFAOYSA-N