99940-62-2 Purity
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The molecular formula of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is C6H8O2.
The molecular weight of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is 112.13 g/mol.
The IUPAC name of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is (E)-2-methyl-4-oxopent-2-enal.
The InChI key of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is PFLPZDBOPDYOJU-HWKANZROSA-N.
The canonical SMILES of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is CC(=CC(=O)C)C=O.
2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) has 0 hydrogen bond donor count.
2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) has 2 hydrogen bond acceptor count.
The topological polar surface area of 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is 34.1 ?2.
2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) has 1 defined bond stereocenter count.
Yes, 2-Pentenal,2-methyl-4-oxo-,(E)-(9ci) is a canonicalized compound.