5-(2-Thienyl)-1H-pyrazole-3-carboxylic acid
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5-(2-Thienyl)-1H-pyrazole-3-carboxylic acid
structure -
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CAS No:
182415-24-3
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Formula:
C8H6N2O2S
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Chemical Name:
5-(2-Thienyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,5-(2-thienyl)-;5-(2-Thienyl)-1H-pyrazole-3-carboxylic acid;3-(2-Thienyl)pyrazole-5-carboxylic acid;887408-78-8;890006-87-8;1048924-57-7;1415401-33-0;2456317-27-2
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CAS No:
5-(2-Thienyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
194.21000
194.21
DTXSID70355933
2934999090
Characteristics
94.22000
1.83640
Pale yellow.
1.514g/cm3
226-227ºC
509.4ºC
261.8ºC
20 [ug/mL]
3.38E-11mmHg at 25°C
Safety Information
Xi
|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:194.21
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:194.01499861
Monoisotopic Mass:194.01499861
Topological Polar Surface Area:94.2
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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