930110-97-7 Purity
96%
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Specification
The molecular formula of the compound is C11H15N3O2.
The molecular weight of the compound is 221.26 g/mol.
The IUPAC name of the compound is 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylic acid.
The InChI of the compound is InChI=1S/C11H15N3O2/c1-8-5-12-6-10(13-8)14-4-2-3-9(7-14)11(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16).
The InChIKey of the compound is TTWSTFTZNIMXTA-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CN=CC(=N1)N2CCCC(C2)C(=O)O.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The exact mass of the compound is 221.116426730 g/mol.
Yes, the compound is canonicalized.