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(E,Z)-2,13-Octadecadienal

Catalog Number ACM99577578
CAS 99577-57-8
Structure {[CurrentData.Name]}
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
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