3-(3-METHOXYPHENYL)PROPIONIC ACID

The Benzenepropanoic acid,3-methoxy- is an organic compound with the formula C₁₀H₁₂O₃. The IUPAC name of this chemical is 3-(3-methoxyphenyl)propanoic acid. With the CAS registry number 10516-71-9 and EINECS 234-049-6, it is also named as 3-(m-Methoxyphenyl)propionic acid. The product's category is Aromatic Propionic Acids. It is white crystal which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.6; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 48.67 cm³; (14)Molar Volume: 157.3 cm³; (15)Polarizability: 19.29×10^-24 cm³; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 59.07 kJ/mol; (18)Vapour Pressure: 0.000155 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 180.078644; (21)MonoIsotopic Mass: 180.078644; (22)Topological Polar Surface Area: 46.5; (23)Heavy Atom Count: 13; (24)Complexity: 168.

Preparation of Benzenepropanoic acid,3-methoxy-: It can be obtained by 3-methoxy-cinnamic acid. This reaction needs reagent sodium amalgam.

Uses of Benzenepropanoic acid,3-methoxy-: It can be used to produce 3-(2-bromo-5-methoxy-phenyl)-propionic acid. This reaction needs reagent bromine and solvent CH₂Cl₂ at temperature of 0 °C. The reaction time is 15 min. The yield is 91%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)CCc1cc(OC)ccc1
2. InChI:InChI=1/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) 
3. InChIKey:BJJQJLOZWBZEGA-UHFFFAOYAZ