Benzoic acid,6-formyl-2,3-dimethoxy- (519-05-1)

The 5,6-Dimethoxyphthalaldehydic acid with the cas number 519-05-1, is also called o-Veratric acid, 6-formyl-. The systematic name is 6-Formyl- 2,3-dimethoxybenzoic acid. Its molecular formula is  C₁₀H₁₀O₅. This chemical belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.83Ų; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 53.29 cm³; (15)Molar Volume: 161.6 cm³; (16)Polarizability: 21.12×10^-24cm³; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 67 kJ/mol; (19)Vapour Pressure: 1.17E-06 mmHg at 25°C.

Uses: This chemical can react with D-penicillamine, to product (3S,10R)-2,3,5,10-Tetrahydro-6,7-dimethoxy-2,2-dimethyl-5-oxo-[1,3]-thiazolo[2,3-a]isoindol-3-carbonsaeure.

This reaction needs solvent H₂O at heating condition. The reaction time is .0 hours. The yield is 91%.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing. 

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1c(C=O)ccc(OC)c1OC
(2)InChI: InChI=1/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)