CAS
86879-39-2 Purity
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86879-39-2 Purity
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Specification
The molecular formula is C11H12N2O.
The molecular weight is 188.23 g/mol.
The IUPAC name is 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.
The InChIKey is IOQOLGUXWSBWHR-UHFFFAOYSA-N.
The compound has 2 hydrogen bond acceptor counts.
The topological polar surface area is 32.7 Ų.
There are 14 heavy atoms present in the compound.
No, the compound does not have any defined atom stereocenter count.
The formal charge is 0.
Yes, the compound is canonicalized.