Structure Database (LMSD)

Common Name
Adipic acid
Systematic Name
Hexanedioic acid
Synonyms
LM ID
LMFA01170048
Status
Active
Exact Mass
Calculate m/z
146.05791
Formula
C6H10O4
Abbrev
FA 6:1;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)
WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
SMILES (Click to copy)
C(CCCCC(=O)O)(=O)O

References

Other Databases

Wikipedia
hexanedioic acid
LIPIDAT ID
1822
KEGG ID
C06104
HMDB ID
HMDB0000448
CHEBI ID
30832
PubChem CID
196
PlantFA ID
10239
SwissLipids ID
SLM:000000720

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 142.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 0.72
Molar Refractivity 33.74

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Updated at
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