915922-79-1 Purity
96%
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Specification
The molecular formula of Akos bb-7231 is C11H13N3O.
The molecular weight of Akos bb-7231 is 203.24 g/mol.
Akos bb-7231 was created in PubChem on November 13, 2007.
The IUPAC name of Akos bb-7231 is 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
The InChI of Akos bb-7231 is InChI=1S/C11H13N3O/c1-7-3-5-9(6-4-7)10-13-11(8(2)12)15-14-10/h3-6,8H,12H2,1-2H3.
The InChIKey of Akos bb-7231 is DQVGKSKROOPQQB-UHFFFAOYSA-N.
The canonical SMILES of Akos bb-7231 is CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N.
Akos bb-7231 has 4 hydrogen bond acceptor count.
The topological polar surface area of Akos bb-7231 is 64.9 Ų.
Yes, the compound Akos bb-7231 is canonicalized in PubChem.