CAS
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Specification
The molecular formula is C13H13NO2.
The molecular weight is 215.25 g/mol.
The IUPAC name is 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.
The InChI is InChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2,(H,15,16).
The InChIKey is OWQQDAGRTDUORV-UHFFFAOYSA-N.
The canonical SMILES is C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O.
The CAS number is 36729-27-8.
The EC number is 833-094-4.
The ChEMBL ID is CHEMBL244328.
The XLogP3-AA value is 2.8.