1-(5-hydroxy-2-nitrophenyl)ethanone (30879-49-3)

The 2-Nitro-5-hydroxyacetophenone, with the CAS registry number 30879-49-3, is also known as Ethanone, 1-(5-hydroxy-2-nitrophenyl)-. This chemical's molecular formula is C₈H₇NO₄ and formula weight is 181.15. What's more, its systematic name is called 1-(5-hydroxy-2-nitrophenyl)ethanone.

Physical properties of 2-Nitro-5-hydroxyacetophenone: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 5.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 109.72; (8)ACD/KOC (pH 7.4): 7.94; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 44.7 cm³; (14)Molar Volume: 131.2 cm³; (15)Surface Tension: 58.5 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 178.1 °C; (18)Enthalpy of Vaporization: 66.58 kJ/mol; (19)Boiling Point: 391.2 °C at 760 mmHg; (20)Vapour Pressure: 1.12E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(O)cc1)C(=O)C
(2)InChI: InChI=1/C8H7NO4/c1-5(10)7-4-6(11)2-3-8(7)9(12)13/h2-4,11H,1H3
(3)InChIKey: PHQWMZYOGOPUIN-UHFFFAOYAS