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5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID

5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID structure

CAS No:
956369-25-8
Formula:
C9H9N3O3
Chemical Name:
5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID
Synonyms:
TIMTEC-BB SBB009562;AKOS B021223;AKOS PAO-0141;5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLIC ACID;ART-CHEM-BB B021223;3-isoxazolecarboxylic acid, 5-(1,3-dimethyl-1H-pyrazol-4-yl)-;3-isoxazolecarboxylic acid, 5-(1,3-dimethyl-1H-pyrazol-4-y;BAS 11403055

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5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

207.19

Exact Mass：

207.06439116

DSSTox ID：

DTXSID40390290

HScode：

2934999090

Characteristics

PSA：

81.15000

XLogP3：

1.08170

Density：

1.47±0.1 g/cm3

Boiling Point：

451.6±45.0 °C(Predicted)

PKA：

3.26±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

Marks：

Computed Properties

Molecular Weight:207.19
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:207.06439116
Monoisotopic Mass:207.06439116
Topological Polar Surface Area:81.2
Heavy Atom Count:15
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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