Structure database (LMSD)

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LM IDLMFA06000113
Common Name3Z-nonenal
Systematic Name3Z-nonenal
Synonyms-
Exact Mass
140.1201 (neutral)    Calculate m/z:
FormulaC9H16O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 9:1
PubChem CID6431042
InChIKeyYXEAENVLZOODMT-SREVYHEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-7,9H,2-5,8H2,1H3/b7-6-
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SMILES
C(C/C=C\CCCCC)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
167.77Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.71Molar
Refractivity
43.96