Ethanone,1-(5-methyl-2-oxazolyl)- supplier

Name
Ethanone, 1-(5-methyl-2-oxazolyl)- (9CI)
EINECS
CAS No. 116139-23-2
Article Data1
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂
Boiling Point 190.592 °C at 760 mmHg
Molecular Weight 125.127
Flash Point 69.068 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methyloxazol-5-yl)ethanone;
PSA 43.10000
LogP 1.18560

Ethanone,1-(5-methyl-2-oxazolyl)- Specification

The Ethanone,1-(5-methyl-2-oxazolyl)-, with the CAS registry number 116139-23-2, is also known as 1-(4-Methyloxazol-5-yl)ethanone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₆H₇NO₂ and molecular weight is 125.12528. What's more, its systematic name is 1-(4-Methyl-1,3-oxazol-5-yl)ethanone.

Physical properties about Ethanone,1-(5-methyl-2-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)Surface Tension: 36.42 dyne/cm; (17)Density: 1.105 g/cm³; (18)Flash Point: 69.068 °C; (19)Enthalpy of Vaporization: 42.68 kJ/mol; (20)Boiling Point: 190.592 °C at 760 mmHg; (21)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

Product Name

Ethanone, 1-(5-methyl-2-oxazolyl)- (9CI)

Ethanone,1-(5-methyl-2-oxazolyl)- Specification

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