3,5-DIMETHOXY-4-METHYLBENZOIC ACID

The Benzoic acid,3,5-dimethoxy-4-methyl-, with CAS registry number 61040-81-1, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)Acids & Esters; (3)Anisoles, Alkyloxy Compounds & Phenylacetates. It has the systematic name of 3,5-dimethoxy-4-methylbenzoic acid. And the chemical formula of this chemical is C₁₀H₁₂O₄.

Physical properties of Benzoic acid,3,5-dimethoxy-4-methyl-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/BCF (pH 5.5): 1.91; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 51.36 cm³; (14)Molar Volume: 166.2 cm³; (15)Polarizability: 20.36×10^-24cm³; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 137.8 °C; (19)Enthalpy of Vaporization: 62.48 kJ/mol; (20)Boiling Point: 347.7 °C at 760 mmHg; (21)Vapour Pressure: 1.99E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,3,5-dimethoxy-4-methyl- 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: O=C(O)c1cc(OC)c(c(OC)c1)C
(2)InChI: InChI=1/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: QIBMVRYNEXOCCF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: QIBMVRYNEXOCCF-UHFFFAOYSA-N