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Ethanone,1-(5-methyl-4-isoxazolyl)-

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Name

Ethanone,1-(5-methyl-4-isoxazolyl)-

EINECS N/A
CAS No. 6497-21-8 Density 1.104 g/cm3
PSA 43.10000 LogP 1.18560
Solubility N/A Melting Point 26-28 °C
Formula C6H7NO2 Boiling Point 220.9 °C at 760 mmHg
Molecular Weight 125.127 Flash Point 87.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6497-21-8 (1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE) Hazard Symbols N/A
Synonyms

Ketone,methyl 5-methyl-4-isoxazolyl (7CI,8CI);1-(5-Methylisoxazol-4-yl)ethanone;4-Acetyl-5-methylisoxazole;

Article Data 10

Ethanone,1-(5-methyl-4-isoxazolyl)- 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

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