Structure Database (LMSD)

Common Name
7-hydroxy-5-heptynoic acid
Systematic Name
7-hydroxy-5-heptynoic acid
Synonyms
  • 5-Heptynoic acid, 7-hydroxy-
  • 7-Hydroxy-5-heptynoic acid
LM ID
LMFA01050262
Formula
Exact Mass
Calculate m/z
142.062995
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
YVZAOBOYHMHYKV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O3/c8-6-4-2-1-3-5-7(9)10/h8H,1,3,5-6H2,(H,9,10)
SMILES (Click to copy)
C(CCCC#CCO)(=O)O

References

Other Databases

LIPIDAT ID
4693
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 148.11
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.52
Molar Refractivity 36.84

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Created at
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Updated at
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