Structure Database (LMSD)
Common Name
3-oxo-dodecanoic acid
Systematic Name
3-oxo-dodecanoic acid
Synonyms
3D model of 3-oxo-dodecanoic 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)
DZHSPYMHDVROSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
237.25
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.17
Molar Refractivity
59.87
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Created at
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Updated at
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