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1-(3-Methyl-5-Isoxazolyl)Ethanone

1-(3-Methyl-5-Isoxazolyl)Ethanone structure

CAS No:
55086-61-8
Formula:
C6H7NO2
Chemical Name:
1-(3-Methyl-5-Isoxazolyl)Ethanone
Synonyms:
1-(3-Methyl-5-Isoxazolyl) Ethanone;Ethanone, 1-(3-methyl-5-isoxazolyl)-;Methyl 3-methyl-5-isoxazolyl ketone;1-(3-methylisoxazol-5-yl)ethanone;3-Methyl-5-acetylisoxazole

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1-(3-Methyl-5-Isoxazolyl)Ethanone Basic Attributes

Molecular Weight：

125.13

Exact Mass：

125.047678466

DSSTox ID：

DTXSID30514761

Characteristics

Density：

1.104

Melting Point：

73-75℃

Boiling Point：

227℃

PKA：

-3.29±0.50

Computed Properties

Molecular Weight:125.13
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:43.1
Heavy Atom Count:9
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Methyl-5-Isoxazolyl)Ethanone

Basic Attributes
Characteristics
Computed Properties

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