Structure Database (LMSD)
Common Name
6-Methylsalicylic acid
Systematic Name
Synonyms
3D model of 6-Methylsalicylic 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)
HCJMNOSIAGSZBM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
SMILES (Click to copy)
C1(C(=O)O)C(O)=CC=CC=1C
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
139.51
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.40
Molar Refractivity
39.80
Admin
Created at
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Updated at
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