Structure database (LMSD)

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LM IDLMPK13010002
Common Name6-Methylsalicylic acid
Systematic Name-
Synonyms-
Exact Mass
152.0473 (neutral)    Calculate m/z:
FormulaC8H8O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassMonocyclic aromatic polyketides [PK1301]
PubChem CID11279
KEGG IDC02657
CHEBI ID17637
CAYMAN ID19199
InChIKeyHCJMNOSIAGSZBM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
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SMILES
C1(C(=O)O)C(O)=CC=CC=1C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings1Rotatable Bonds1
 van der Waals
Molecular Volume
139.51Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.40Molar
Refractivity
39.80