Structure Database (LMSD)

Common Name
Dodecanedioic acid
Systematic Name
Dodecanedioic acid
Synonyms
LM ID
LMFA01170009
Status
Active
Exact Mass
Calculate m/z
230.15181
Formula
C12H22O4
Abbrev
FA 12:1;O2
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
TVIDDXQYHWJXFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
SMILES (Click to copy)
C(CCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
1817
KEGG ID
C02678
HMDB ID
HMDB0000623
CHEBI ID
4676
PubChem CID
12736
SwissLipids ID
SLM:000000717

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 246.04
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.06
Molar Refractivity 61.44

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Updated at
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