Structure Database (LMSD)

Common Name
Pimelic dialdehyde
Systematic Name
heptanedial
Synonyms
LM ID
LMFA06000026
Status
Active
Exact Mass
Calculate m/z
128.08373
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)
OOLBRPUFHUSCOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2
SMILES (Click to copy)
C(=O)([H])CCCCCC([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.33
Molar Refractivity 35.21

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Created at
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Updated at
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