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5-Benzoyl-3-methylisoxazole

5-Benzoyl-3-methylisoxazole structure

CAS No:
31301-36-7
Formula:
C11H9NO2
Chemical Name:
5-Benzoyl-3-methylisoxazole
Synonyms:
5-Benzoyl-3-methylisoxazole;Methanone, (3-methyl-5-isoxazolyl)phenyl-

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5-Benzoyl-3-methylisoxazole Basic Attributes

Molecular Weight：

187.19

Exact Mass：

187.063328530 g/mol

NSC Number：

255003

DSSTox ID：

DTXSID80312456

Characteristics

PSA：

43.1 Å²

Density：

1.171±0.06 g/cm3

Melting Point：

70.5-71.5 °C

Boiling Point：

160-162 °C(Press: 7 Torr)

PKA：

-3.09±0.50

Computed Properties

Molecular Weight:187.19
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:43.1
Heavy Atom Count:14
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Benzoyl-3-methylisoxazole

Basic Attributes
Characteristics
Computed Properties

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