Structure Database (LMSD)

Common Name
Heptylic acid
Systematic Name
heptanoic acid
Synonyms
  • Enanthic acid
  • Enanthylic acid
  • Heptoic acid
  • C7:0
  • Enanthoic acid
  • Oenanthic acid
LM ID
LMFA01010007
Formula
Exact Mass
Calculate m/z
130.09938
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
MNWFXJYAOYHMED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
SMILES (Click to copy)
CCCCCCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0007
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.04
Molar Refractivity 36.39

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022