Structure

Indole-4-carboxylic acid

CAS
2124-55-2
Catalog Number
ACM2124552
Category
Indoles
Molecular Weight
161.16
Molecular Formula
C9H7NO2

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Specification

Synonyms
1H-indole-4-carboxylate;1H-indole-4-carboxylic acid;Indole-4-carboxylicacid
Boiling Point
419.6 °C at 760 mmHg
Melting Point
213-214 °C
Flash Point
207.6 °C
Density
1.408 g/cm³
Appearance
Beige powder
What is the molecular formula of Indole-4-carboxylic acid?

The molecular formula is C9H7NO2.

What is the molecular weight of Indole-4-carboxylic acid?

The molecular weight is 161.16 g/mol.

What is the IUPAC name of Indole-4-carboxylic acid?

The IUPAC name is 1H-indole-4-carboxylic acid.

What is the InChI code of Indole-4-carboxylic acid?

The InChI code is InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)

What is the InChIKey of Indole-4-carboxylic acid?

The InChIKey is ROGHUJUFCRFUSO-UHFFFAOYSA-N.

What is the canonical SMILES of Indole-4-carboxylic acid?

The canonical SMILES is C1=CC(=C2C=CNC2=C1)C(=O)O.

What is the CAS number of Indole-4-carboxylic acid?

The CAS number is 2124-55-2.

What is the European Community (EC) number of Indole-4-carboxylic acid?

The European Community (EC) number is 621-279-0.

What is the ChEMBL ID of Indole-4-carboxylic acid?

The ChEMBL ID is CHEMBL2018157.

Is Indole-4-carboxylic acid a canonicalized compound?

Yes, Indole-4-carboxylic acid is a canonicalized compound according to PubChem.

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