3-Acetyl-1H-pyrazole-5-carboxylic acid
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3-Acetyl-1H-pyrazole-5-carboxylic acid
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CAS No:
1297537-45-1
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Formula:
C6H6N2O3
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Chemical Name:
3-Acetyl-1H-pyrazole-5-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,5-acetyl-;5-Acetyl-1H-pyrazole-3-carboxylic acid;3-Acetyl-1H-pyrazole-5-carboxylic acid;949034-45-1
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CAS No:
Characteristics
83
0.1
1.467±0.06 g/cm3(Predicted)
257-269 °C (decomp) @ Solvent: Ethanol, Benzene
479.2±30.0 °C(Predicted)
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:154.12
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:154.03784206
Monoisotopic Mass:154.03784206
Topological Polar Surface Area:83
Heavy Atom Count:11
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Acetyl-1H-pyrazole-5-carboxylic acid
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