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

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

CAS No:
957313-90-5
Formula:
C8H7N3O3
Chemical Name:
5-(1-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLICACID
Synonyms:
5-(1-METHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLIC ACID;AKOS B021222;AKOS PAO-0138;ART-CHEM-BB B021222;TIMTEC-BB SBB009561;5-(1-Methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid

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

Molecular Weight：

193.16

Exact Mass：

193.04874109

HScode：

2934999090

Characteristics

PSA：

81.15000

XLogP3：

0.77330

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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