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SMILES: CCC(C)C=O Canonical SMILES: CC(C=O)CC InChI: InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3 InChIKey: BYGQBDHUGHBGMD-UHFFFAOYSA-N
CBID:145148 http://www.chembase.cn/molecule-145148.html