2-Allyl-1,3-dioxoisoindoline-5-carboxylic acid

• Catalog Number: ACMA00001054
• Category: Amines
• Molecular Weight: 231.20
• Molecular Formula: C₁₃H₁₂ClN
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H9NO4.

What are the synonyms of the compound?

The synonyms of the compound are 41441-42-3, 2-allyl-1,3-dioxoisoindoline-5-carboxylic acid, 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid, and 1,3-dioxo-2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 231.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H9NO4/c1-2-5-13-10(14)8-4-3-7(12(16)17)6-9(8)11(13)15/h2-4,6H,1,5H2,(H,16,17).

What is the InChIKey of the compound?

The InChIKey of the compound is WVOXIWJWBBJKCZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 41441-42-3.

Is the compound canonicalized?

Yes, the compound is canonicalized.