| Identification | |
| Name: | 2H-Indol-2-one,3-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,3-dihydro-1-methyl- |
| Synonyms: | Dian III;Meisoindigo;N-Methylisoindigotin;Natura-a; |
| CAS: | 97207-47-1 |
| Molecular Formula: | C17H12N2O2 |
| Molecular Weight: | 276.2894 |
| InChI: | InChI=1/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9H,1H3,(H,18,20)/b15-14+ |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 236-237 ºC |
| Density: | 1.381 g/cm3 |
| Refractive index: | 1.698 |
| Specification: |
The Meisoindigo with the CAS number 97207-47-1 is also called N-Methylisoindigotin. The IUPAC name is (3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)indol-2-one. Its molecular formula is C17H12N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.61; (6)ACD/BCF (pH 7.4): 8.61; (7)ACD/KOC (pH 5.5): 162.48; (8)ACD/KOC (pH 7.4): 162.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 77.15 cm3; (15)Molar Volume: 200 cm3; (16)Polarizability: 30.58×10-24cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Enthalpy of Vaporization: 74.69 kJ/mol; (19)Vapour Pressure: 1.89×10-9 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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