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1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone

1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone structure

CAS No:
117504-27-5
Formula:
C9H13NO2
Chemical Name:
1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone
Synonyms:
2-Butanone,1-(3,5-dimethyl-4-isoxazolyl)-;1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone;1-(Dimethyl-1,2-oxazol-4-yl)butan-2-one

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1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone Basic Attributes

Molecular Weight：

167.208

Exact Mass：

167.21

Characteristics

PSA：

43.1

XLogP3：

1.3

Melting Point：

35-36 °C @ Solvent: Ethanol

Computed Properties

Molecular Weight:167.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:43.1
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,5-Dimethyl-4-isoxazolyl)-2-butanone

Basic Attributes
Characteristics
Computed Properties

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