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Chem 4 Methyl Salicylic Acid | Cheminformatics

4-Methyl Salicylic Acid


  • SKU Code: CH137010
Chemical Name - 4-Methyl Salicylic Acid
Mol Weight - 152.149
Smiles - Cc(cc1)cc(O)c1C(O)=O
Property Name Property Value
Mol Name4-Methyl Salicylic Acid
Molweight152.149
Monoisotopic Mass152.047345
Clogp1.1429
Clogs-1.677
H Acceptors3
H Donors2
Total Surface Area115.97
Relative Psa0.33836
Polar Surface Area57.53
Druglikeness-1.8497
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.63636
Molecular Flexibility0.35822
Molecular Complexity0.6993
Fragments1
Non H Atoms11
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
Acidic Oxygens1
SmilesCc(cc1)cc(O)c1C(O)=O
InChIKeyInChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChINJESAXZANHETJV-UHFFFAOYSA-N

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1 - 4-Methyl Salicylic Acid
2 - 4-Methyl Salicylic Acid
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