68279-24-3 Purity
96%
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Specification
The molecular formula is C16H28O.
The molecular weight is 236.39 g/mol.
The IUPAC name is (10Z,12E)-hexadeca-10,12-dienal.
The InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4+,7-6-.
The InChIKey is OSFASEAZCNYZBW-DEQVHDEQSA-N.
The canonical SMILES is CCCC=CC=CCCCCCCCCC=O.
The isomeric SMILES is CCC/C=C/C=C\CCCCCCCCC=O.
The CAS number is 63024-98-6.
The XLogP3-AA value is 5.7.
Yes, (10Z,12E)-hexadecadienal is canonicalized.