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1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE

1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE structure

CAS No:
263897-90-1
Formula:
C9H8N2O2S
Chemical Name:
1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE
Synonyms:
1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE;1-(2-(5-methylisoxazol-3-yl)thiazol-4-yl)ethanone;Ethanone, 1-[2-(5-methyl-3-isoxazolyl)-4-thiazolyl]-

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1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE Basic Attributes

Molecular Weight：

208.24

Exact Mass：

208.03064868

DSSTox ID：

DTXSID70372564

Characteristics

PSA：

84.23000

XLogP3：

2.30910

Density：

1.291±0.06 g/cm3

Melting Point：

130 °C

Boiling Point：

404.0±55.0 °C(Predicted)

Flash Point：

198.1ºC

Refractive Index：

1.565

Vapor Pressure：

9.76E-07mmHg at 25°C

PKA：

-2.27±0.10

Safety Information

hazard class code：

safety instructions：

Computed Properties

Molecular Weight:208.24
XLogP3:1.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:208.03064868
Monoisotopic Mass:208.03064868
Topological Polar Surface Area:84.2
Heavy Atom Count:14
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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