CAS
24880-48-6 Purity
≥95%
24880-48-6 Purity
≥95%
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Specification
The molecular formula is C16H28O2.
The molecular weight is 252.39 g/mol.
The IUPAC name is [(9E,12Z)-tetradeca-9,12-dienyl] acetate.
The InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+.
The InChIKey is ZZGJZGSVLNSDPG-WWVFNRLHSA-N.
The canonical SMILES is CC=CCC=CCCCCCCCCOC(=O)C.
The isomeric SMILES is C/C=C\C/C=C/CCCCCCCCOC(=O)C.
The CAS number is 31654-77-0.
The XLogP3-AA value is 5.3.
The hydrogen bond donor count is 0.