Structure Database (LMSD)

Common Name
3-oxo-nonadecanoic acid
Systematic Name
3-oxo-nonadecanoic acid
Synonyms
LM ID
LMFA01060131
Formula
Exact Mass
Calculate m/z
312.266445
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
SFGWEVNROKIRBY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2223
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 358.35
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.90
Molar Refractivity 92.19

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Created at
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Updated at
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