Structure database (LMSD)

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LM IDLMFA01030446
Common Name6E-nonenoic acid
Systematic Name6E-nonenoic acid
SynonymsC9:1n-3
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 9:1
LIPIDAT ID5471
PubChem CID5312589
InChIKeyZPSOISAMGWYNQX-ONEGZZNKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)/b4-3+
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SMILES
C(CCCC/C=C/CC)(=O)O
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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