Structure database (LMSD)

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LM IDLMFA01030791
Common Name2Z-Hexenoic acid
Systematic Name2Z-Hexenoic acid
SynonymsC6:1n-4
Exact Mass
114.0681 (neutral)    Calculate m/z:
FormulaC6H10O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 6:1
PubChem CID12467038
InChIKeyNIONDZDPPYHYKY-PLNGDYQASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-
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SMILES
C(/C=C\CCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
124.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.43Molar
Refractivity
31.68