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1-(5-Isoxazolyl)ethanone

1-(5-Isoxazolyl)ethanone structure

CAS No:
88511-38-0
Formula:
C5H5NO2
Chemical Name:
1-(5-Isoxazolyl)ethanone
Synonyms:
Ethanone,1-(5-isoxazolyl)-;Ketone,5-isoxazolyl methyl;1-(5-Isoxazolyl)ethanone;1-(1,2-Oxazol-5-yl)ethanone;1-(1,2-Oxazol-5-yl)ethan-1-one
Categories:
Chemical Reagents > Organic Reagents

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1-(5-Isoxazolyl)ethanone Basic Attributes

Molecular Weight：

111.1

Exact Mass：

111.10

DSSTox ID：

DTXSID40604804

Characteristics

Density：

1.145

Melting Point：

52.5-53 °C @ Solvent: Ligroine

Boiling Point：

205.5±13.0 °C(Predicted)

PKA：

-3.93±0.50

Computed Properties

Molecular Weight:111.10
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:43.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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88511-38-0 1-(1,2-oxazol-5-yl)ethanone

CAS No.: 88511-38-0

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