2-hydroxyoctanoic acid   

GtoPdb Ligand ID: 5796

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 57.53
Molecular weight 160.11
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC(C(=O)O)O
Isomeric SMILES CCCCCCC(C(=O)O)O
InChI InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChI Key JKRDADVRIYVCCY-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-Hydroxyoctanoic acid
Database Links
CAS Registry No. 617-73-2
GtoPdb PubChem SID 178102421
PubChem CID 94180
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