Structure Database (LMSD)

Common Name
2E,4E,7-octatrienal
Systematic Name
2E,4E,7-octatrienal
Synonyms
LM ID
LMFA06000275
Status
Active
Exact Mass
Calculate m/z
122.073165
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VEIAVWGDUXTGOR-YTXTXJHMSA-N
InChi (Click to copy)
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4+,7-6+
SMILES (Click to copy)
C(/C=C/C=C/CC=C)(=O)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thalassiosira rotula (#49265)
Coscinodiscophyceae (#33836)
Detection of short-chain aldehydes in marine organisms: the diatom Thalassiosira rotula,
Tetrahedron Letts, 2002

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 145.19
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.87
Molar Refractivity 39.16

Admin

Created at
20th May 2020
Updated at
20th May 2020