2-benzyl-5-methylpyrazole-3-carboxylic acid
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2-benzyl-5-methylpyrazole-3-carboxylic acid
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CAS No:
1141-70-4
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Formula:
C12H12N2O2
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Chemical Name:
2-benzyl-5-methylpyrazole-3-carboxylic acid
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Synonyms:
2-benzyl-5-methyl-2H-pyrazole-3-carboxylic acid; 1-Benzyl-3-methylpyrazole-5-carboxylic acid; 5-Carboxy-1-benzyl-3-methyl-pyrazol; 2-Benzyl-5-methyl-2H-pyrazol-3-carbonsaeure; Pyrazole-5-carboxylic acid,1-benzyl-3-methyl; 1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid;Expand
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CAS No:
2-benzyl-5-methylpyrazole-3-carboxylic acid Basic Attributes
216.23600
216.089877630 g/mol
DTXSID00150655
2933199090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:216.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.089877630
Monoisotopic Mass:216.089877630
Topological Polar Surface Area:55.1
Heavy Atom Count:16
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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