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
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
Other Databases
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
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Created at
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Updated at
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