(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid

• Catalog Number: ACMA00001088
• Category: Amines
• Molecular Weight: 231.25
• Molecular Formula: C₁₃H₁₃N
• Hazard Statements: H228-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H13NO3.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H13NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-7,12H,8H2,1H3,(H,16,17).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 58246-00-7.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 824-723-3.

What is the molecular weight of the compound?

The molecular weight of the compound is 231.25 g/mol.

How many hydrogen bond donor atoms are there in the compound?

There is 1 hydrogen bond donor atom in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 57.6Ų.