3-AMINO-5-METHOXYBENZOIC ACID

The Benzoic acid,3-amino-5-methoxy-, with the CAS registry number 74165-74-5, is also known as 3-Amino-5-methoxy-benzoic acid. This chemical's molecular formula is C₈H₉NO₃ and molecular weight is 167.16. What's more, its systematic name is 3-Amino-5-methoxybenzoic acid and it belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino AcidsCarbonyl Compounds; C₈; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives.

Physical properties of Benzoic acid,3-amino-5-methoxy- are: (1)ACD/LogP: 0.89; (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): 4.15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.55 Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 44.09 cm³; (13)Molar Volume: 128.2 cm³; (14)Polarizability: 17.48×10^-24 cm³; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.303 g/cm³; (17)Flash Point: 191.3 °C; (18)Enthalpy of Vaporization: 67.77 kJ/mol; (19)Boiling Point: 392.8 °C at 760 mmHg; (20)Vapour Pressure: 7.12E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(OC)c1)C(O)=O
(2)InChI: InChI=1S/C8H9NO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: DBEMTZANGFGKMX-UHFFFAOYSA-N