2-(3-Methoxy-propyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

• Catalog Number: ACMA00002353
• Category: Ethers
• Molecular Weight: 249.26
• Molecular Formula: C₁₃H₁₄O₃
• Hazard Statements: H302-H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C13H15NO4.

What are the synonyms of the compound?

The synonyms of the compound are 881041-34-5, 2-(3-methoxypropyl)-3-oxoisoindoline-4-carboxylic acid, 2-(3-methoxy-propyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxylic acid, and MLS000120699.

What is the molecular weight of the compound?

The molecular weight is 249.26 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C13H15NO4/c1-18-7-3-6-14-8-9-4-2-5-10(13(16)17)11(9)12(14)15/h2,4-5H,3,6-8H2,1H3,(H,16,17).

What is the InChIKey of the compound?

The InChIKey is RFLKTRPBCMIEMW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COCCCN1CC2=C(C1=O)C(=CC=C2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.7.

How many hydrogen bond donor counts does the compound have?

The compound has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has four hydrogen bond acceptor counts.