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6-Methylsalicylic Acid

PubChem CID: 11279

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Compound Synonyms 2-HYDROXY-6-METHYLBENZOIC ACID, 567-61-3, 6-Methylsalicylic acid, 6-Hydroxy-o-toluic acid, 2,6-Cresotic acid, Benzoic acid, 2-hydroxy-6-methyl-, 6-MSA, 6-MS, Methylsalicylic acid, MFCD01194284, NSC 403256, UNII-L5352FE23Y, BRN 2208693, CHEBI:17637, L5352FE23Y, NSC-403256, DTXSID20205257, 4-10-00-00594 (Beilstein Handbook Reference), 6-Methyl-2-hydroxybenzenecarboxylate, 2-Hydroxy-6-methylbenzoicacid, 2-hydroxy-6-methyl-benzoic acid, Methylsalicylic acid, 6-, SCHEMBL147955, CHEMBL510026, DTXCID20127748, 2-Hydroxy-6-methylbenzoic acid #, BCP05389, GEO-04151, LMPK13010002, NSC403256, AKOS004907081, AC-5291, CS-W002751, FH69926, FS-2603, MB01720, 6-Methyl-2-hydroxybenzenecarboxylic acid, PD016989, SY030546, Benzoic acid, 2-hydroxy-6-methyl-(9CI), DB-006156, C02657, EN300-105059, Q6172528, 35745-30-3
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 155.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-hydroxy-6-methylbenzoic acid
Prediction Hob 1.0
Xlogp 1.9
Molecular Formula C8H8O3
Prediction Swissadme 0.0
Inchi Key HCJMNOSIAGSZBM-UHFFFAOYSA-N
Fcsp3 0.125
Logs -2.192
Rotatable Bond Count 1.0
Logd 1.156
Compound Name 6-Methylsalicylic Acid
Prediction Hob Swissadme 0.0
Exact Mass 152.047
Formal Charge 0.0
Monoisotopic Mass 152.047
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 152.15
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.3053601636363634
Inchi InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
Smiles CC1=C(C(=CC=C1)O)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0