3-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
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3-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
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CAS No:
40704-11-8
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Formula:
C5H6N2O2
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Chemical Name:
3-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
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Synonyms:
CHEMBRDG-BB 4002205;3-METHYLPYRAZOLE-4-CARBOXYLIC ACID;3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS PAO-0300;Albb-005391;3-Methyl-1h-pyrazole-4-carboxylic acid 97%;3-Methyl-1H-pyrazole-4-carboxylic acid 3-Methylpyrazole-4-carboxylic acid;3-Methylpyrazole-4-carboxylic acid 97%
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CAS No:
Description
3-methyl-pyrazole-4-carboxylic acid is a member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole.
Characteristics
65.98000
0.41630
1.404±0.06 g/cm3
225-230 °C (dec.) (lit.)
384.2±22.0 °C(Predicted)
186.1ºC
1.595
14.56±0.50
Safety Information
IRRITANT
3
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:126.11
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:66
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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