(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid

• Catalog Number: ACMA00002337
• Category: Ethers
• Molecular Weight: 251.28
• Molecular Formula: C₁₃H₁₆O₄
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The molecular formula is C13H17NO4.

What are the synonyms for (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The synonyms are 318465-71-3 and 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.

What is the molecular weight of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The molecular weight is 251.28 g/mol.

When was this compound created and modified in the database?

It was created on August 9, 2005, and last modified on November 25, 2023.

What is the IUPAC name of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.

What is the InChI of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The InChI is InChI=1S/C13H17NO4/c1-17-11-5-9-3-4-14(8-13(15)16)7-10(9)6-12(11)18-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).

What is the InChIKey of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The InChIKey is KOKCWVXXMLKNQC-UHFFFAOYSA-N.

What is the canonical SMILES notation of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The canonical SMILES notation is COC1=C(C=C2CN(CCC2=C1)CC(=O)O)OC.

What is the XLogP3-AA value of (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid?

The XLogP3-AA value is -1.

How many hydrogen bond donor count and acceptor count does (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid have?

It has 1 hydrogen bond donor count and 5 hydrogen bond acceptor count.