944898-97-9 Purity
96%
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Specification
The IUPAC name of the compound is 2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid.
The molecular formula of the compound is C11H13NO3.
The molecular weight of the compound is 207.23 g/mol.
The InChI of the compound is InChI=1S/C11H13NO3/c1-15-8-2-3-9-7(4-11(13)14)6-12-10(9)5-8/h2-3,5,7,12H,4,6H2,1H3,(H,13,14).
The InChIKey of the compound is IEDZUUGUFWYMHU-UHFFFAOYSA-N.
The Canonical SMILES of the compound is COC1=CC2=C(C=C1)C(CN2)CC(=O)O.
The CAS number of the compound is 944899-25-6.
The XLogP3-AA value of the compound is 1.2.
The compound has 2 hydrogen bond donor counts.
The compound has 3 rotatable bond counts.