Structure Database (LMSD)
Common Name
9-oxo capric acid
Systematic Name
9-oxo-decanoic acid
Synonyms
3D model of 9-oxo capric 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)
BYFKKNYEIXWOQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCC(=O)C)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
202.65
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.39
Molar Refractivity
50.64
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Created at
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Updated at
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