Structure database (LMSD)

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LM IDLMFA01030026
Common Nameα-nonylenic acid
Systematic Name2Z-nonenoic acid
Synonymscis-2-nonenoic acid; C9:1n-7
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0065
PubChem Compound ID (CID)5282722
InChIKeyADLXTJMPCFOTOO-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-
SMILESCCCCCC/C=C\C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
176.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.60Molar
Refractivity
45.53    
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