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CAS No.: | 2065-27-2 |
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Name: | Methyl 2,6-dimethoxybenzoate |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | Methyl2,6-dimethoxybenzoate;2,6-DIMETHOXYBENZOIC ACID METHYL ESTER; |
Density: | 1.119g/cm3 |
Melting Point: | 87-90°C |
Boiling Point: | 294.9°Cat760mmHg |
Flash Point: | 128°C |
PSA: | 44.76000 |
LogP: | 1.49040 |
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The Methyl 2,6-dimethoxybenzoate with the cas number 2065-27-2, is also called Benzoic acid,2,6-dimethoxy-, methyl ester. This chemical can be obtained by the reaction of 2,6-dimethoxy-benzoic acid and methanol. The productivity of this reaction is 77%.
The properties of the chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.97; (6)ACD/BCF (pH 7.4): 12.97; (7)ACD/KOC (pH 5.5): 217.88; (8)ACD/KOC (pH 7.4): 217.88; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 51.38 cm3; (15)Molar Volume: 175.3 cm3; (16)Polarizability: 20.36×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Enthalpy of Vaporization: 53.46 kJ/mol; (19)Vapour Pressure: 0.00157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(OC)cccc1OC
(2)InChI: InChI=1/C10H12O4/c1-12-7-5-4-6-8(13-2)9(7)10(11)14-3/h4-6H,1-3H3