2-(But-3-yn-2-yl)isoindoline-1,3-dione

• Catalog Number: ACMA00001055
• Category: Amines
• Molecular Weight: 199.21
• Molecular Formula: C₁₃H₁₁N₃O
• Hazard Statements: H317-H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The molecular formula is C12H9NO2.

What are the synonyms of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The synonyms include 2-(BUT-3-YN-2-YL)ISOINDOLINE-1,3-DIONE, 14396-89-5, 2-but-3-yn-2-ylisoindole-1,3-dione, 2-phthalimido-3-butyne, and .alpha.-Methyl-n-propargyphthalimide.

What is the molecular weight of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The molecular weight is 199.20 g/mol.

What is the IUPAC name of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The IUPAC name is 2-but-3-yn-2-ylisoindole-1,3-dione.

What is the InChI of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The InChI is InChI=1S/C12H9NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-8H,2H3.

What is the InChIKey of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The InChIKey is SOGVFRFVTCHCLD-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The canonical SMILES is CC(C#C)N1C(=O)C2=CC=CC=C2C1=O.

What is the CAS number of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The CAS number is 14396-89-5.

What is the XLogP3 value of 2-(But-3-yn-2-yl)isoindoline-1,3-dione?

The XLogP3 value is 1.8.

Is 2-(But-3-yn-2-yl)isoindoline-1,3-dione a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.