ML0006

[|JMOL view]

Compound Name: **5-aminosalicylic acid** Common Names: IUPAC Name: 5-amino-2-hydroxy-benzoic acid

CAS RN: 89-57-6 SMILES: Oc1ccc(N)cc1C(=O)O InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) InChIKey: KBOPZPXVLCULAV-UHFFFAOYAE

//ChemSpider Permalink:// []

Molecular Formula: C7H7NO3 Molecular Weight (average): 153.1354 Molecular Weight (monisotopic): 153.04259 Melting point: 275-280C (dec) LogP (ACD v5.0 logD calculated): 0.46 +/- 0.26 pKa (ACD v5.0 pKa calculated): 1.91 +/- 0.10 (COOH), 5.43 +/- 0.10 (5-NH2), 13.95 +/- 0.18(2-0H) Proton Affinity: Vapor pressure (ChemSpider predicted): 3.01E-07 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: A7980-9 (lot #: 08204KZ)

//Purification Information://

//Notes://

//References://