3-Methoxy-2-nitrobenzoic acid

This chemical is called 3-Methoxy-2-nitrobenzoic acid, and it can also be named as Benzoic acid, 3-methoxy-2-nitro- (9CI). With the molecular formula of C₈H₇NO₅, its molecular weight is 197.14. The CAS registry number of this chemical is 4920-80-3.

Other characteristics of the 3-Methoxy-2-nitrobenzoic acid can be summarised as followings: (1)ACD/LogP: 1.15; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 92.35 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 46.407 cm³; (13)Molar Volume: 137.807 cm³; (14)Polarizability: 18.397×10^-24cm³; (15)Surface Tension: 58.768 dyne/cm; (16)Density: 1.431 g/cm³; (17)Flash Point: 188.574 °C; (18)Enthalpy of Vaporization: 67.225 kJ/mol; (19)Boiling Point: 388.195 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: The 2-amino-3-methoxy-benzoic acid could be obtained by the reactant of 3-Methoxy-2-nitrobenzoic acid. This reaction needs the reagent of H₂, aq. NaHCO₃, and the catalyst of Pd/C. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: COc1cccc(c1N(=O)=O)C(=O)O
2.InChI: InChI=1/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
3.InChIKey: YMOMYSDAOXOCID-UHFFFAOYAG