Structure Database (LMSD)

Common Name
10-Hydroxy-9-ketooctadecanoic acid
Systematic Name
10-Hydroxy-9-oxooctadecanoic acid
Synonyms
LM ID
LMFA01050538
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
CHNFVYBDYZFQNI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16,19H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(=O)C(O)CCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 349.84
Topological Polar Surface Area 74.6
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.77
Molar Refractivity 89.47

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Created at
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Updated at
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