| Identification | |
| Name: | 1H-Indole-2-carboxylicacid, 5-methoxy-, methyl ester |
| Synonyms: | 5-Methoxy-1H-indole-2-carboxylicacid methyl ester;Methyl 5-methoxy-1H-indole-2-carboxylate;Methyl 5-methoxy-2-indolecarboxylate; |
| CAS: | 67929-86-6 |
| EINECS: | 267-811-1 |
| Molecular Formula: | C11H11N O3 |
| Molecular Weight: | 205.21 |
| InChI: | InChI=1/C11H11NO3/c1-14-8-3-4-9-7(5-8)6-10(12-9)11(13)15-2/h3-6,12H,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.253 g/cm3 |
| Refractive index: | 1.612 |
| Specification: |
The Methyl 5-methoxy-1H-indole-2-carboxylate with the cas number 67929-86-6. It is also called (1)1H-indole-2-carboxylic acid, 5-methoxy-, methyl ester ; (2)Methyl 5-methoxy-1H-indole-2-carboxylate ; (3)5-Methoxyindole-2-carboxylicacidmethylester ; (4)Methyl 5-methoxyindole-2-carboxylate . It belongs to the following product categories: (1)Pyrazole series; (2)Acids and Derivatives; (3)Heterocycles; (4)Esters; (5)Pyrazoles & Triazoles; (6)Pyrazole; (7)Building Blocks; (8)Heterocyclic Building Blocks; (9)Pyrazoles. Properties ofMethyl 5-methoxy-1H-indole-2-carboxylate : (1)ACD/LogP: 2.39 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.39 ; (4)ACD/LogD (pH 7.4): 2.39 ; (5)ACD/BCF (pH 5.5): 38.28 ; (6)ACD/BCF (pH 7.4): 38.28 ; (7)ACD/KOC (pH 5.5): 472.82 ; (8)ACD/KOC (pH 7.4): 472.82 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 40.46Å2 ; (13)Index of Refraction: 1.612 ; (14) Molar Refractivity: 56.98 cm3 ; (15)Molar Volume: 163.7 cm3 ; (16)Polarizability: 22.58 ×10-24cm3 ; (17)Surface Tension: 48.5 dyne/cm ; (18)Density: 1.253 g/cm3 ; (19)Flash Point: 177.6 °C ; (20)Enthalpy of Vaporization: 61.69 kJ/mol ; (21)Boiling Point: 370.1 °C at 760 mmHg ; (22)Vapour Pressure: 1.14E-05 mmHg at 25°C You can still convert the following datas into molecular structure : |
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