Catalog Number |
ACM99577578 |
CAS |
99577-57-8 |
Structure |
|
IUPAC Name |
(2E,13Z)-octadeca-2,13-dienal |
Synonyms |
(2E,13Z)-octadeca-2,13-dienal;(E,Z)-2,13-OCTADECADIENAL;2E,13Z-Octadecadienal;99577-57-8;Koiganal II;SCHEMBL1302654;CHEBI:167965;LMFA06000234;ZINC21982904;AKOS015959073 |
Molecular Weight |
264.4g/mol |
Molecular Formula |
C18H32O |
Canonical SMILES |
CCCCC=CCCCCCCCCCC=CC=O |
InChI |
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-18H,2-4,7-15H2,1H3/b6-5-,17-16+ |
InChI Key |
NCFULMZVHNTQOK-RAPDCGKPSA-N |
Purity |
96% |
Complexity |
228 |
Covalently-Bonded Unit Count |
1 |
EC Number |
619-445-2 |
Exact Mass |
264.245315640g/mol |
Heavy Atom Count |
19 |
Hydrogen Bond Acceptor Count |
1 |
Monoisotopic Mass |
264.245315640g/mol |
Rotatable Bond Count |
14 |
Topological Polar Surface Area |
17.1Ų |
X Log P3 |
7.1 |