Structure Database (LMSD)

Common Name
2-octenedial
Systematic Name
2-octenedial
Synonyms
LM ID
LMFA06000037
Status
Active
Exact Mass
Calculate m/z
140.08373
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)
DZYVOBZUVXUJJG-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,7-8H,1-2,4,6H2/b5-3+
SMILES (Click to copy)
C(=O)([H])CCCC/C=C/C([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.50
Molar Refractivity 39.74

Admin

Created at
-
Updated at
-