96464-18-5 Purity
96%
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Specification
The molecular formula of the compound is C13H15NO.
The synonyms of the compound are 96472-51-4, 7-ethoxy-1,2,3,4-tetrahydrocyclopenta[b]indole, and Cyclopent[b]indole, 7-ethoxy-1,2,3,4-tetrahydro- (7CI).
The molecular weight of the compound is 201.26 g/mol.
The IUPAC name of the compound is 7-ethoxy-1,2,3,4-tetrahydrocyclopenta[b]indole.
The InChI of the compound is InChI=1S/C13H15NO/c1-2-15-9-6-7-13-11(8-9)10-4-3-5-12(10)14-13/h6-8,14H,2-5H2,1H3.
The InChIKey of the compound is KMJYUGOMIHAOOL-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CCOC1=CC2=C(C=C1)NC3=C2CCC3.
The XLogP3-AA value of the compound is 3.1.
The compound has 1 hydrogen bond donor count.
The compound has 2 rotatable bond count.