CAS
3189-22-8 Purity
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3189-22-8 Purity
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Specification
The molecular formula is C9H7NO2.
The molecular weight is 161.16 g/mol.
The IUPAC name is 1H-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)
The InChIKey is ROGHUJUFCRFUSO-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C2C=CNC2=C1)C(=O)O.
The CAS number is 2124-55-2.
The European Community (EC) number is 621-279-0.
The ChEMBL ID is CHEMBL2018157.
Yes, Indole-4-carboxylic acid is a canonicalized compound according to PubChem.