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ISOXAZOLE-4-CARBOXYLICACID

ISOXAZOLE-4-CARBOXYLICACID structure

CAS No:
221524-06-7
Formula:
C14H22N2O6
Chemical Name:
ISOXAZOLE-4-CARBOXYLICACID
Synonyms:
ISOOXAZOLE-4-CARBOXYLIC ACID;ISOXAZOLE-4-CARBOXYLIC ACID;1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 1-(2-propen-1-yl) ester

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ISOXAZOLE-4-CARBOXYLICACID Basic Attributes

Molecular Weight：

314.33

Exact Mass：

314.14778643

Characteristics

PSA：

96.38000

XLogP3：

1.19070

Density：

1.238±0.06 g/cm3

Boiling Point：

442.4±45.0 °C(Predicted)

PKA：

3.67±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:314.33
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:314.14778643
Monoisotopic Mass:314.14778643
Topological Polar Surface Area:96.4
Heavy Atom Count:22
Complexity:457
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ISOXAZOLE-4-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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