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5-Methyl Salicylic Acid


  • SKU Code: CH137008
Chemical Name - 5-Methyl Salicylic Acid
Mol Weight - 152.149
Smiles - Cc(cc1)cc(C(O)=O)c1O
Property Name Property Value
Mol Name5-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
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.54545
Molecular Flexibility0.35822
Molecular Complexity0.72218
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(C(O)=O)c1O
InChIKeyInChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIDLGBEGBHXSAQOC-UHFFFAOYSA-N

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