Structure Database (LMSD)
Common Name
Orsellinic acid
Systematic Name
Synonyms
3D model of Orsellinic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
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
References
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
Admin
Created at
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Updated at
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