112-66-3 Purity
99%+
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Specification
The molecular formula of the compound is C16H26O.
The molecular weight of the compound is 234.38 g/mol.
The IUPAC name of the compound is hexadeca-10,12,14-trienal.
The InChI code of the compound is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-7,16H,8-15H2,1H3.
The InChIKey of the compound is QXMRYABYXKUWCX-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC=CC=CC=CCCCCCCCCC=O.
The XLogP3-AA value of the compound is 5.3.
The compound has 0 hydrogen bond donor count.
The compound has 1 hydrogen bond acceptor count.
The compound has 11 rotatable bond counts.