Benzeneacetaldehyde,4-hydroxy-a-oxo- (24645-80-5)

The 4-Hydroxy-alpha-oxobenzeneacetaldehyde with the cas number 24645-80-5, is also called (p-Hydroxyphenyl)glyoxal. The systematic name is Benzeneacetaldehyde, 4-hydroxy-alpha-oxo-. Its molecular formula is C₈H₆O₃. This chemical can be used to determine available arginine residues in proteins.

The properties of the chemical are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.69; (8)ACD/KOC (pH 7.4): 3.64; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 38.34 cm³; (15)Molar Volume: 116.7 cm³; (16)Polarizability: 15.2×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Enthalpy of Vaporization: 55.64 kJ/mol; (19)Vapour Pressure: 0.000875 mmHg at 25°C.

Uses: This chemical can react with diaminomaleonitrile, to product 5-(4-hydroxy-phenyl)-pyrazine-2,3-dicarbonitrile.

This reaction needs reagent acetic acid,solvent dioxane and H₂O .The yield is 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(O)ccc(cc1)C(=O)C=O
(2)InChI: InChI=1/C8H6O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-5,10H