CAS
919524-55-3 Purity
96%
919524-55-3 Purity
96%
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Specification
The molecular formula is C13H15NO2.
The molecular weight is 217.26 g/mol.
The IUPAC name is 2-(2,5,7-trimethyl-1H-indol-3-yl)acetic acid.
The InChIKey is UEEPPNNQZQTJMO-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=C2C(=C1)C(=C(N2)C)CC(=O)O)C.
It has 2 hydrogen bond donor counts.
The exact mass is 217.110278721 g/mol.
The topological polar surface area is 53.1 Ų.
There are 16 heavy atoms.
Yes, the compound is canonicalized.