MA0007

[|JMOL view]

Compound Name: 2-(4-hydroxyphenylazo)-benzoic acid Common Name: **HABA** IUPAC Name: 2-[(Z)-(4-hydroxyphenyl)diazenyl]benzoic acid

CAS RN: 1634-82-8 SMILES: Oc2ccc(\N=N/c1ccccc1C(O)=O)cc2 InChI=1/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14-

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Molecular Formula: C13H10N2O3 Molecular Weight (average): 242.2301 Molecular Weight (monisotopic): 242.06914 Da Melting point: LogP (ACD v5.0 logD calculated): 3.72 +/-0.36 pKa (ACD v5.0 pKa calculated): 3.57 +/-0.36 Proton Affinity [1]: 226.9 +/- 0.26 kcal/mol Vapor pressure (ACD calculated): 1.41E-10 mmHg at 25°C

//Spectral Information// [|IR Spectrum] ATR 1 cm-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 Positive ion spectrum acquired on a Bruker Ultraflex TOF-TOF [|355nm MALDI spectrum] 355nm Negative ion spectrum acquired on a Bruker Ultraflex TOF-TOF

//Sample Info:// Aldrich PN: 14803-2 lot #: 01219CQ

//Notes//

//References// [1] Mirza, S.P.; Raju, N.P.; Vairamani, M., //Estimation of the Proton Affinity Values of Fifteen MALDI Matrices under Electrospray Ionization Conditions using the Kinetic Method//, J. Amer. Soc. Mass Spectrom., 2004, 15, 431-5, DOI: 10.1016/j.jasms.2003.12.001