Benzoic acid,3-methoxy-5-nitro- (78238-12-7)

The 3-Methoxy-5-nitrobenzoic acid with its cas register number is 78238-12-7. It also can be called as Benzoic acid,3-methoxy-5-nitro- and the Systematic name about this chemical is 3-methoxy-5-nitrobenzoic acid.

Physical properties about 3-Methoxy-5-nitrobenzoic acid are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): -0.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.17; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 81.35Ų; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 46.4 cm³; (14)Molar Volume: 137.8 cm³; (15)Polarizability: 18.39x10^-24cm³; (16)Surface Tension: 58.7 dyne/cm; (17)Enthalpy of Vaporization: 67.38 kJ/mol; (18)Vapour Pressure: 9.16E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc(OC)c1)C(=O)O
(2)InChI: InChI=1/C8H7NO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)
(3)InChIKey: QXIIPLXNJAJOMR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H7NO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: QXIIPLXNJAJOMR-UHFFFAOYSA-N