1H-Pyrazole-4-propanoic acid, 1,3,5-trimethyl-
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1H-Pyrazole-4-propanoic acid, 1,3,5-trimethyl-
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CAS No:
956352-96-8
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Formula:
C9H14N2O2
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Chemical Name:
1H-Pyrazole-4-propanoic acid, 1,3,5-trimethyl-
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Synonyms:
5-(METHYLTHIO)-2-NITROBENZOIC ACID;
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CAS No:
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:182.22
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.105527694
Monoisotopic Mass:182.105527694
Topological Polar Surface Area:55.1
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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