Structure Database (LMSD)

Common Name
(+)-Bornane-2,5-dione
Systematic Name
Synonyms
LM ID
LMPR0102120008
Status
Active
Exact Mass
Calculate m/z
166.09938
Formula


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)
UDIUFGIXIGLRSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3
SMILES (Click to copy)
C12(C)CC(=O)C(CC1=O)C2(C)C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 169.14
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.58
Molar Refractivity 44.63

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Created at
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Updated at
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