4-(4-METHYLPHENOXY)BENZOIC ACID

This chemical is called Benzoic acid,4-(4-methylphenoxy)-, and its systematic name is 4-(4-methylphenoxy)benzoic acid. With the molecular formula of C₁₄H₁₂O₃, its molecular weight is 228.24. The CAS registry number of the chemical is 21120-65-0.

Other characteristics of Benzoic acid,4-(4-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 24.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 160.25; (8)ACD/KOC (pH 7.4): 3.81; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 64.45 cm³; (15)Molar Volume: 188.8 cm³; (16)Polarizability: 25.55×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 65.7 kJ/mol; (21)Boiling Point: 375.3 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes. Rinse immediately with plenty of water and seek medical advice if contacting with eyes. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.
 
You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2ccc(Oc1ccc(cc1)C)cc2
2.InChI: InChI=1/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
3.InChIKey: DCDYPMNXCDXNJZ-UHFFFAOYAT
4.Std. InChI: InChI=1S/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
5.Std. InChIKey: DCDYPMNXCDXNJZ-UHFFFAOYSA-N