Structure Database (LMSD)

Common Name
2Z-Dodecenedioic acid
Systematic Name
2Z-Dodecenedioic acid
Synonyms
LM ID
LMFA01170033
Status
Active
Exact Mass
Calculate m/z
228.13616
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)
MAZWDMBCPDUFDJ-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7-
SMILES (Click to copy)
C(/C=C\CCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3359
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 243.40
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.83
Molar Refractivity 61.35

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Created at
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Updated at
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