Structure Database (LMSD)

Common Name
Dihydromalvalic acid
Systematic Name
7-(2-octylcyclopropyl)heptanoic acid
Synonyms
LM ID
LMFA01140033
Status
Active
Exact Mass
Calculate m/z
282.25588
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)
FSTZKYGQVCLPSX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCC1CC1CCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 322.54
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.8
Molar Refractivity 84.93

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Created at
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Updated at
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