Structure Database (LMSD)

Common Name
2E,4E,6Z-Nonatrienal
Systematic Name
2E,4E,6Z-Nonatrienal
Synonyms
LM ID
LMFA06000137
Formula
Exact Mass
Calculate m/z
136.088815
Sum Composition
Status
Curated

Classification

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Epitrix (#226608)
Insecta (#50557)
Male-produced aggregation pheromone compounds from the eggplant flea beetle (Epitrix fuscula): identification, synthesis, and field biossays.,
J Chem Ecol, 2006
Pubmed ID: 17075723

String Representations

InChiKey (Click to copy)
XHDSWFFUGPJMMN-ZRGCPWHVSA-N
InChi (Click to copy)
InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3-,6-5+,8-7+
SMILES (Click to copy)
C(/C=C/C=C/C=C\CC)(=O)[H]

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 162.49
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.26
Molar Refractivity 43.77

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Created at
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Updated at
6th Jan 2025