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

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

CAS No:
957312-81-1
Formula:
C8H7N3O3
Chemical Name:
3-(1-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLICACID
Synonyms:
AKOS B021233;3-(1-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-5-CARBOXYLIC ACID;ART-CHEM-BB B021233;TIMTEC-BB SBB009564;3-(1-Methyl-1H-pyrazol-4-yl)-isoxazole-5-;3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid

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

Molecular Weight：

193.16

Exact Mass：

193.04874109

HScode：

2934999090

Characteristics

PSA：

81.15000

XLogP3：

0.77330

Water Solubility：

>29 [ug/mL]

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:193.16
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:193.04874109
Monoisotopic Mass:193.04874109
Topological Polar Surface Area:81.2
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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