Structure Database (LMSD)

Common Name
Cyclopropanenonanoic acid
Systematic Name
9-cyclopropylnonanoic acid
Synonyms
LM ID
LMFA01140056
Status
Active
Exact Mass
Calculate m/z
198.16198
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)
YVSYMQVXJYGAJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c13-12(14)8-6-4-2-1-3-5-7-11-9-10-11/h11H,1-10H2,(H,13,14)
SMILES (Click to copy)
C(CCCCCCCCC1CC1)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 218.74
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.6
Molar Refractivity 57.3

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Created at
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Updated at
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