99268-56-1 Purity
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The molecular formula is C14H17NO3.
The molecular weight is 247.29 g/mol.
Some synonyms include 99275-47-5, 1-BOC-5-methoxyindole, N-Boc-5-methoxyindole, and tert-butyl 5-methoxy-1H-indole-1-carboxylate.
It was created on 2006-10-28 and last modified on 2023-12-30.
The IUPAC name is tert-butyl 5-methoxyindole-1-carboxylate.
The InChI is InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3.
The InChIKey is LPSLGTZFBDZNEK-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC.
The XLogP3-AA value is 3.2.
Yes, the compound is canonicalized.