Structure Database (LMSD)
Common Name
9-acetyl pelargonic acid
Systematic Name
10-oxo-undecanoic acid
Synonyms
3D model of 9-acetyl pelargonic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UKHMENMPHVRROO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CCCCC(=O)C)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
219.95
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.78
Molar Refractivity
55.25
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Created at
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Updated at
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