4,5-DIMETHOXY-2-IODOBENZOIC ACID

The Benzoic acid,2-iodo-4,5-dimethoxy-, with CAS registry number 61203-48-3, has the systematic name of 2-iodo-4,5-dimethoxybenzoic acid. And its IUPAC name is the same one. Besides this, it is also called 4,5-Dimethoxy-2-iodobenzoic acid. And the chemical formula of this chemical is C₉H₉IO₄.

Physical properties of Benzoic acid,2-iodo-4,5-dimethoxy-: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 59.44 cm³; (15)Molar Volume: 172 cm³; (16)Polarizability: 23.56×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.79 g/cm³; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 64.83 kJ/mol; (21)Boiling Point: 367.9 °C at 760 mmHg; (22)Vapour Pressure: 4.62E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,2-iodo-4,5-dimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(OC)c(OC)cc1C(=O)O
(2)InChI: InChI=1/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: HLLHFIIJEOARHX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
(5)Std. InChIKey: HLLHFIIJEOARHX-UHFFFAOYSA-N