90799-47-6 Purity
96%
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Specification
The molecular formula is C13H15NO4.
The synonyms are (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester, 908003-80-5, methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate, DTXSID90695141, SB39794.
The molecular weight is 249.26 g/mol.
The IUPAC name is methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate.
The InChI is InChI=1S/C13H15NO4/c1-16-10-5-4-9-8(6-11(15)17-2)7-14-12(9)13(10)18-3/h4-5,7,14H,6H2,1-3H3.
The InChIKey is TUWWXGSJJVKHRM-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C2=C(C=C1)C(=CN2)CC(=O)OC).
The CAS number is 908003-80-5.
Yes, it is a canonicalized compound.