2-Amino-4-methoxybenzoic acid methyl ester (50413-30-4)

The CAS register number of 2-Amino-4-methoxybenzoic acid methyl ester is 50413-30-4. It also can be called as benzoic acid, 2-amino-4-methoxy-, methyl ester and the systematic name about this chemical is methyl 2-amino-4-methoxybenzoate.

Physical properties about 2-Amino-4-methoxybenzoic acid methyl ester are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.04; (6)ACD/BCF (pH 7.4): 23.05; (7)ACD/KOC (pH 5.5): 328.79; (8)ACD/KOC (pH 7.4): 328.86; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.55Ų; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.94 cm³; (15)Molar Volume: 153.6 cm³; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.179 g/cm³; (18)Flash Point: 158.8 °C; (19)Enthalpy of Vaporization: 55.48 kJ/mol; (20)Boiling Point: 313.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000488 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Nc1cc(OC)ccc1C(=O)OC
2.InChI: InChI=1/C9H11NO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,10H2,1-2H3 
3.InChIKey: CEKCJQBZVNIMLD-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C9H11NO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,10H2,1-2H3