Structure Database (LMSD)

Common Name
9,10-dioxo-octadecanoic acid
Systematic Name
9,10-dioxo-octadecanoic acid
Synonyms
LM ID
LMFA02000264
Status
Active
Exact Mass
Calculate m/z
312.23006
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)
UCJSYDRGZVWHJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(=O)C(=O)CCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3196
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.69
Molar Refractivity 87.96

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Created at
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Updated at
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