CAS
954106-65-1 Purity
96%
954106-65-1 Purity
96%
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Specification
The molecular formula is C11H10N2O4.
The molecular weight is 234.21 g/mol.
The IUPAC name is 4-(4-nitrophenyl)piperidine-2,6-dione.
The InChI is InChI=1S/C11H10N2O4/c14-10-5-8(6-11(15)12-10)7-1-3-9(4-2-7)13(16)17/h1-4,8H,5-6H2,(H,12,14,15).
The InChIKey is CLNUBVHQUXBQSK-UHFFFAOYSA-N.
The canonical SMILES is C1C(CC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-].
The CAS number is 954124-21-1.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 4.
Yes, it is a canonicalized compound.