3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde

• Catalog Number: ACMA00000985
• Category: Amines
• Molecular Weight: 203.19
• Molecular Formula: C₁₂H₃₀N₄
• Hazard Statements: H302-H315-H318-H335-H400
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 75525?

The IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propanal.

What is the molecular formula of the compound?

The molecular formula is C11H9NO3.

What is the molecular weight of the compound?

The molecular weight is 203.19 g/mol.

What is the InChI key of the compound?

The InChI key is IBSDSIHTMABATG-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES is C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=O.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 54.4Ų.

Does the compound have any defined atom stereocenter count?

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

How many rotatable bonds does the compound have?

The compound has 3 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.