Structure database (LMSD)

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LM IDLMFA01060189
Common Name7-Oxotetradecanoic acid
Systematic Name7-Oxotetradecanoic acid
Synonyms-
Exact Mass
242.1882 (neutral)    Calculate m/z:
FormulaC14H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
AbbrevFA 14:1;O
PubChem CID14402359
InChIKeyCDYSHNKYPKNGES-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
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SMILES
C(CCCCCC(=O)CCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
271.85Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.95Molar
Refractivity
69.10