Structure Database (LMSD)
Common Name
4-n-valeryl butyric acid
Systematic Name
5-oxo-nonanoic acid
Synonyms
3D model of 4-n-valeryl butyric 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)
IOLZRTYKQAFXFB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(=O)(CCCC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
185.35
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.00
Molar Refractivity
46.02
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Created at
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Updated at
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