Structure Database (LMSD)
Common Name
10-keto tridecanoic acid
Systematic Name
10-oxo-tridecanoic acid
Synonyms
3D model of 10-keto tridecanoic 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)
YZHJFSDMZMTRPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-2-9-12(14)10-7-5-3-4-6-8-11-13(15)16/h2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C(CCCCC(=O)CCC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
254.55
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.56
Molar Refractivity
64.49
Admin
Created at
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Updated at
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