Benzoic acid,4-hydroxy-2-nitro- (74230-08-3)

The 4-Hydroxy-2-nitrobenzoic acid, with the cas registry number 74230-08-3, is also called benzoic acid, 4-hydroxy-2-nitro-. And the molecular formula of the chemical is C₇H₅NO₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 103.35 Å²; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 41.61 cm³; (13)Molar Volume: 112.2 cm³; (14)Polarizability: 16.49×10^-24cm³; (15)Surface Tension: 84.1 dyne/cm; (16)Density: 1.631 g/cm³; (17)Flash Point: 190.8 °C; (18)Enthalpy of Vaporization: 70.31 kJ/mol; (19)Boiling Point: 414 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=N(=O)c1cc(O)ccc1C(O)=O
(2)InChI: InChI=1/C7H5NO5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)
(3)InChIKey: FNDZIIJCKXGZJA-UHFFFAOYAV