1-(4-Methyloxazol-5-yl)ethanone supplier

Name
1-(4-Methyloxazol-5-yl)ethanone
EINECS
CAS No. 23012-19-3
Article Data3
CAS DataBase
Density 1.105g/cm³
Solubility
Melting Point 15-15.5 °C(Solv: methanol (67-56-1))
Formula C₆H₇NO₂
Boiling Point 190.592 °C at 760 mmHg
Molecular Weight 125.13
Flash Point 69.068 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,methyl 4-methyl-5-oxazolyl (6CI,8CI);5-Acetyl-4-methyloxazole;1-(4-Methyloxazol-5-yl)ethanone;
PSA 29.54000
LogP 2.31970

1-(4-Methyloxazol-5-yl)ethanone Specification

The Ethanone,1-(4-methyl-5-oxazolyl)-, with CAS registry number 23012-19-3, has the systematic name of 1-(4-methyl-1,3-oxazol-5-yl)ethanone. And its IUPAC name is the same one. Besides this, it is also called 5-Acetyl-4-methyloxazole. And the chemical formula of this chemical is C₆H₇NO₂.

Physical properties of Ethanone,1-(4-methyl-5-oxazolyl)-: (1)ACD/LogP: -1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 31.497 cm³; (15)Molar Volume: 113.257 cm³; (16)Polarizability: 12.486×10^-24cm³; (17)Surface Tension: 36.42 dyne/cm; (18)Enthalpy of Vaporization: 42.68 kJ/mol; (19)Vapour Pressure: 0.537 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ocnc1C)C
(2)InChI: InChI=1/C6H7NO2/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
(3)InChIKey: BYBRWPKBEPJABL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H7NO2/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
(5)Std. InChIKey: BYBRWPKBEPJABL-UHFFFAOYSA-N

Product Name

1-(4-Methyloxazol-5-yl)ethanone

1-(4-Methyloxazol-5-yl)ethanone Specification

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