Structure Database (LMSD)

Common Name
3-nonenal
Systematic Name
3-nonenal
Synonyms
LM ID
LMFA06000042
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FAL 9:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
YXEAENVLZOODMT-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-7,9H,2-5,8H2,1H3/b7-6+
SMILES (Click to copy)
C(CCC/C=C/CC([H])=O)C

Other Databases

CHEBI ID
195709
PubChem CID
5283336

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.71
Molar Refractivity 43.96

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Created at
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Updated at
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