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Structure

Methyl 2-[[(3,5-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate

CAS
94022-83-0
Catalog Number
ACM94022830
Category
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What is the molecular formula of the compound with PubChem CID 3023320?

The molecular formula is C17H21NO2.

What is the IUPAC Name of the compound?

The IUPAC Name is methyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.

What is the InChIKey of the compound?

The InChIKey is NAMUVRSTEVMHAJ-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1CC(CC(=C1)C)C=NC2=CC=CC=C2C(=O)OC.

What is the exact mass of the compound?

The exact mass is 271.157228913 g/mol.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

How many rotatable bonds does the compound have?

The compound has 4 rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area is 38.7 Ų.

How many defined atom stereocenters does the compound have?

The compound has 0 defined atom stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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