99149-83-4 Purity
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The molecular formula is C12H11NO5.
The molecular weight is 249.22 g/mol.
The IUPAC name is 3-acetyl-2-oxo-4-phenyl-1,3-oxazolidine-4-carboxylic acid.
The InChI is InChI=1S/C12H11NO5/c1-8(14)13-11(17)18-7-12(13,10(15)16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16).
The InChIKey is ORBGCIYCKNPTEK-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)N1C(=O)OCC1(C2=CC=CC=C2)C(=O)O.
The XLogP3-AA value is 0.8.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.