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Basic Information
CAS No.: 6497-21-8
Name: 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE
Article Data: 10
Molecular Structure:
Molecular Structure of 6497-21-8 (1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE)
Formula: C6H7NO2
Molecular Weight: 125.127
Synonyms: Ketone,methyl 5-methyl-4-isoxazolyl (7CI,8CI);1-(5-Methylisoxazol-4-yl)ethanone;4-Acetyl-5-methylisoxazole;
Density: 1.104 g/cm3
Melting Point: 26-28 °C
Boiling Point: 220.9 °C at 760 mmHg
Flash Point: 87.4 °C
PSA: 43.10000
LogP: 1.18560
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Specification

The Ethanone,1-(5-methyl-4-isoxazolyl)-, with the CAS registry number 6497-21-8, is also known as ZINC00169509. This chemical's molecular formula is C6H7NO2 and molecular weight is 125.12528. Its IUPAC name is called 1-(5-methyl-1,2-oxazol-4-yl)ethanone. 

Physical properties of Ethanone,1-(5-methyl-4-isoxazolyl)-: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -0.01; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.43; (7)ACD/KOC (pH 7.4): 23.43; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.468; (11)Molar Refractivity: 31.49 cm3; (12)Molar Volume: 113.2 cm3; (13)Surface Tension: 36.4 dyne/cm; (14)Density: 1.104 g/cm3; (15)Flash Point: 87.4 °C; (16)Enthalpy of Vaporization: 45.74 kJ/mol; (17)Boiling Point: 220.9 °C at 760 mmHg; (18)Vapour Pressure: 0.11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=NO1)C(=O)C
(2)InChI: InChI=1S/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3
(3)InChIKey: MPBLCMAVTWOWNH-UHFFFAOYSA-N