Indole-6-carboxylic acid methyl ester

• Catalog Number: ACM50820650
• Product Name: Indole-6-carboxylic acid methyl ester
• CAS: 50820-65-0
• Category: Indoles
• Synonyms: Methyl indole-6-carboxylate;methyl 1H-indole-6-carboxylate;Indole-6-carboxylic acid methyl ester;Methyl indole- 6- carboxylate;Methyl 6-indolecarboxylate;Methyl indole-6-carboxylic acid
• Molecular Weight: 175.18
• Molecular Formula: C10H9NO2
• Boiling Point: 331.7 °C at 760 mmHg
• Melting Point: 76-80 °C
• Flash Point: 154.4 °C
• Density: 1.253 g/cm³
• Appearance: Off-white crystalline powder

Custom Q&A

What is the molecular formula of Indole-6-carboxylic acid methyl ester?

The molecular formula is C10H9NO2.

What is the molecular weight of Indole-6-carboxylic acid methyl ester?

The molecular weight is 175.18 g/mol.

What is the IUPAC name of Indole-6-carboxylic acid methyl ester?

The IUPAC name is methyl 1H-indole-6-carboxylate.

What is the InChI of Indole-6-carboxylic acid methyl ester?

The InChI is InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3.

What is the InChIKey of Indole-6-carboxylic acid methyl ester?

The InChIKey is AYYOZKHMSABVRP-UHFFFAOYSA-N.

What is the canonical SMILES of Indole-6-carboxylic acid methyl ester?

The canonical SMILES is COC(=O)C1=CC2=C(C=C1)C=CN2.

What is the CAS number of Indole-6-carboxylic acid methyl ester?

The CAS number is 50820-65-0.

What is the XLogP3 value of Indole-6-carboxylic acid methyl ester?

The XLogP3 value is 2.5.

Is Indole-6-carboxylic acid methyl ester a defined bond stereocenter count?

No, Indole-6-carboxylic acid methyl ester has an undefined bond stereocenter count of 0.