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Structure

2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one

CAS
86-92-0
Catalog Number
ACM86920
Category
Other Products
Molecular Weight
188.23
Molecular Formula
C11H12N2O

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Specification

Synonyms
TIMTEC-BB SBB003677;3-METHYL-1-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE;3-Methyl-1-(p-tolyl)-2-pyrazolin-5-one;3-METHYL-1-P-TOLYL-5-PYRAZOLONE;4-TOLYLMETHYLPYRAZOLONE;5-METHYL-2-(4-METHYLPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE;1-(4-METHYL-PHENYL)-3-METHYL-5-PYRAZOLONE;2,4-DIHYDRO-5-METHYL-2-(4-METHYLPHENYL)-3H-PYRAZOL-3-ONE
Melting Point
129°C
Hazard Statements
Xn
What is the molecular formula of the chemical compound with PubChem CID 66591?

The molecular formula is C11H12N2O.

What is the molecular weight of the compound?

The molecular weight is 188.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.

What is the InChIKey of the compound?

The InChIKey is IOQOLGUXWSBWHR-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 32.7 Ų.

How many heavy atoms are present in the compound?

There are 14 heavy atoms present in the compound.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

What is the formal charge of the compound?

The formal charge is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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