ML0005

[|JMOL view]

Compound Name: **5-methylsalicylic acid** Common Names: IUPAC Name: 5-methyl-2-hydroxy-benzoic acid

CAS RN: 89-56-5 SMILES: OC(=O)c1cc(C)ccc1O InChI=1/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) InChIKey: DLGBEGBHXSAQOC-UHFFFAOYAZ

//ChemSpider Permalink:// []

Molecular Formula: C8H8O3 Molecular Weight (average): 152.1473 Molecular Weight (monisotopic): 152.04734 Melting point: 150-154C LogP (ACD v5.0 logD calculated): 2.52 +/-0.35 pKa (ACD v5.0 pKa calculated): 3.30 +/- 0.10 (COOH),13.99 +/- 0.18(2-0H) Proton Affinity: Vapor pressure (ChemSpider predicted): 5.2E-04 mmHg at 25°C

//Spectral Information:// [|IR spectrum] ATR 1cm-1 resolution [|UV spectrum] 1 nm resolution in methanol [|UV spectrum] 1 nm resolution in acetonitrile [|SS-UV spectrum]1 nm resolution solid state diffuse reflectance measurement [|355nm MALDI Spectrum] 355nm Negative ion spectrum acquired on a Bruker Autoflex III [|355nm MALDI Spectrum] 355nm Positive ion spectrum acquired on a Bruker Autoflex III

//Sample Info:// Aldrich 98% PN: 14616-1 (lot #: 01722JY)

//Purification Information://

//Notes://

//References://