68683-29-4 Purity
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Specification
The molecular formula of the keyword is C7H12N2O2.
The molecular weight of the keyword is 156.18 g/mol.
The IUPAC name of the keyword is (6R)-1-ethyl-6-methylpiperazine-2,3-dione.
The InChI of the keyword is InChI=1S/C7H12N2O2/c1-3-9-5(2)4-8-6(10)7(9)11/h5H,3-4H2,1-2H3,(H,8,10)/t5-/m1/s1.
The InChIKey of the keyword is KIXBEOPGNRUBRA-RXMQYKEDSA-N.
The canonical SMILES of the keyword is CCN1C(CNC(=O)C1=O)C.
The keyword has 1 hydrogen bond donor count.
The keyword has 2 hydrogen bond acceptor counts.
The topological polar surface area of the keyword is 49.4Ų.
Yes, the compound is canonicalized.
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