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(5E,7Z)-Dodeca-5,7-dienal

Catalog Number ACM75539650
CAS 75539-65-0
Structure {[CurrentData.Name]}
IUPAC Name (5E,7Z)-dodeca-5,7-dienal
Synonyms 5E,7Z-Dodecadienal;(5E,7Z)-dodeca-5,7-dienal;75539-65-0;E5,Z7-dodecadienal;(e,z)-5,7-dodecadienal;SCHEMBL811318;LMFA06000157;ZINC44135119
Molecular Weight 180.29g/mol
Molecular Formula C12H20O
Canonical SMILES CCCCC=CC=CCCCC=O
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+
InChI Key LDQDYNHCLZNOFB-IGTJQSIKSA-N
Purity 96%
Complexity 157
Covalently-Bonded Unit Count 1
Exact Mass 180.151415257g/mol
Heavy Atom Count 13
Hydrogen Bond Acceptor Count 1
Monoisotopic Mass 180.151415257g/mol
Rotatable Bond Count 8
Topological Polar Surface Area 17.1Ų
X Log P3 3.5
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