Structure Database (LMSD)
Common Name
Orsellinic acid
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Orsellinic 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)
AMKYESDOVDKZKV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
SMILES (Click to copy)
C1(C(=O)O)C(O)=CC(O)=CC=1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
148.30
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
1.10
Molar Refractivity
41.47
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Created at
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Updated at
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