2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

• Catalog Number: ACMA00001076
• Category: Amines
• Molecular Weight: 233.26
• Molecular Formula: C₁₃H₁₄ClNO
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The molecular formula is C13H15NO3.

What is the molecular weight of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The molecular weight is 233.26 g/mol.

What is the IUPAC name of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

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

What is the InChI of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The InChI is InChI=1S/C13H15NO3/c1-8(2)6-14-7-9-4-3-5-10(13(16)17)11(9)12(14)15/h3-5,8H,6-7H2,1-2H3,(H,16,17).

What is the InChIKey of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The InChIKey is KFXDPJMOALONTC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The canonical SMILES is CC(C)CN1CC2=C(C1=O)C(=CC=C2)C(=O)O.

What is the XLogP3-AA of 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid?

The XLogP3-AA is 1.8.

How many hydrogen bond donor counts does 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-Isobutyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid have?

It has 3 rotatable bond counts.