3,5-Dimethyl-1H-pyrazole-1-propanoic acid
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3,5-Dimethyl-1H-pyrazole-1-propanoic acid
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CAS No:
72145-01-8
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Formula:
C8H12N2O2
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Chemical Name:
3,5-Dimethyl-1H-pyrazole-1-propanoic acid
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Synonyms:
1H-Pyrazole-1-propanoic acid,3,5-dimethyl-;3,5-Dimethyl-1H-pyrazole-1-propanoic acid;3,5-Dimethylpyrazole-1-propionic acid
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CAS No:
3,5-Dimethyl-1H-pyrazole-1-propanoic acid Basic Attributes
168.19300
168.19
DTXSID80389628
2933199090
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:168.19
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:55.1
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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