4-Benzyloxyindole-2-carboxylic acid

• Catalog Number: ACM39731094
• Product Name: 4-Benzyloxyindole-2-carboxylic acid
• CAS: 39731-09-4
• Category: Heterocyclic Organic Compound
• Synonyms: AKOS JY2083405;4-(BENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID;4-BENZYLOXYINDOLE-2-CARBOXYLIC ACID
• Molecular Weight: 267.28
• Molecular Formula: C₁₆H₁₃NO₃
• Hazard Statements: Xi

Custom Q&A

What is the molecular formula of 4-Benzyloxyindole-2-carboxylic acid?

The molecular formula of 4-Benzyloxyindole-2-carboxylic acid is C16H13NO3.

When was the compound created and modified in PubChem?

The compound was created on 2005-07-19 and modified on 2023-12-30 in PubChem.

What is the IUPAC name of 4-Benzyloxyindole-2-carboxylic acid?

The IUPAC name of 4-Benzyloxyindole-2-carboxylic acid is 4-phenylmethoxy-1H-indole-2-carboxylic acid.

What is the Canonical SMILES notation for 4-Benzyloxyindole-2-carboxylic acid?

The Canonical SMILES notation for 4-Benzyloxyindole-2-carboxylic acid is C1=CC=C(C=C1)COC2=CC=CC3=C2C=C(N3)C(=O)O.

What is the InChIKey for 4-Benzyloxyindole-2-carboxylic acid?

The InChIKey for 4-Benzyloxyindole-2-carboxylic acid is GSXFWBDVTDHJFZ-UHFFFAOYSA-N.

What is the molecular weight of 4-Benzyloxyindole-2-carboxylic acid?

The molecular weight of 4-Benzyloxyindole-2-carboxylic acid is 267.28 g/mol.

How many hydrogen bond donor counts does 4-Benzyloxyindole-2-carboxylic acid have?

4-Benzyloxyindole-2-carboxylic acid has 2 hydrogen bond donor counts.

What is the topological polar surface area of 4-Benzyloxyindole-2-carboxylic acid?

The topological polar surface area of 4-Benzyloxyindole-2-carboxylic acid is 62.3 Ų.

Is 4-Benzyloxyindole-2-carboxylic acid a canonicalized compound?

Yes, 4-Benzyloxyindole-2-carboxylic acid is a canonicalized compound.

What is the ChEMBL ID for 4-Benzyloxyindole-2-carboxylic acid?

The ChEMBL ID for 4-Benzyloxyindole-2-carboxylic acid is CHEMBL23399.