ethyl5-acetyl-1H-pyrazole-3-carboxylate
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ethyl5-acetyl-1H-pyrazole-3-carboxylate
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CAS No:
37622-89-2
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Formula:
C8H10N2O3
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Chemical Name:
ethyl5-acetyl-1H-pyrazole-3-carboxylate
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Synonyms:
ethyl 5-acetyl-1H-pyrazole-3-carboxylate;ethyl 5-acetyl 1H-pyrazol-3-carboxylate;5-Acetyl-2H-Pyrazole-3-Carboxylic Acid Ethyl Ester;3-ETHOXYCARBONYL-5-ACETYLPYRAZOLE;5-ACETYL-1(2)H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER;5-Acetyl-2H-Pyrazole-3-Carboxylic Acid Ethyl Ester(WX626065);1H-Pyrazole-3-carboxylic acid, 5-acetyl-, ethyl ester
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CAS No:
Characteristics
72.05000
0.78900
1.240±0.06 g/cm3
112-112.5 °C(Solv: water (7732-18-5))
382.6±27.0 °C(Predicted)
8.00±0.10
Safety Information
|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|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:182.18
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:182.06914219
Monoisotopic Mass:182.06914219
Topological Polar Surface Area:72
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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