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CAS No.: | 7699-20-9 |
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Name: | 7-METHOXYOXINDOLE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H9NO2 |
Molecular Weight: | 163.176 |
Synonyms: | 7-Methoxyindolin-2-one; |
Density: | 1.208 g/cm3 |
Melting Point: | 146 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 356.041 °C at 760 mmHg |
Flash Point: | 169.128 °C |
PSA: | 38.33000 |
LogP: | 1.32780 |
The 7-Methoxy-oxindole, with the CAS registry number 7699-20-9, is also known as 7-Methoxyindolin-2-one. This chemical's molecular formula is C9H9NO2 and molecular weight is 163.17. What's more, its IUPAC name is 7-Methoxy-1, 3-dihydroindol-2-one.
Physical properties about 7-Methoxy-oxindole are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 88; (8)ACD/KOC (pH 7.4): 88; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 43.973 cm3; (15)Molar Volume: 135.057 cm3; (16)Polarizability: 17.432×10-24 cm3; (17)Surface Tension: 42.329 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 169.128 °C; (20)Enthalpy of Vaporization: 60.126 kJ/mol; (21)Boiling Point: 356.041 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc2CC(=O)Nc12
(2) InChI: InChI=1/C9H9NO2/c1-12-7-4-2-3-6-5-8(11)10-9(6)7/h2-4H,5H2,1H3,(H,10,11)
(3) InChIKey: APQCUXBFROFCOM-UHFFFAOYAL