Structure Database (LMSD)
Common Name
(+)-3-hydroxy pelargonic acid
Systematic Name
3-hydroxy-nonanoic acid
Synonyms
3D model of (+)-3-hydroxy 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)
XBUXARJOYUQNTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(O)(CCCCCC)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
187.99
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.08
Molar Refractivity
47.53
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Created at
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Updated at
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