(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate
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(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate
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CAS No:
65441-83-0
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Formula:
C13H16N2O3
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Chemical Name:
(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate
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Synonyms:
65441-83-0;NSC243006;DTXSID00311406;NSC-243006;3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl benzoate
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CAS No:
(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate Basic Attributes
248.28 g/mol
248.11609238 g/mol
243006
DTXSID00311406
Computed Properties
Molecular Weight:248.28
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:248.11609238
Monoisotopic Mass:248.11609238
Topological Polar Surface Area:67.4
Heavy Atom Count:18
Complexity:372
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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