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CAS No.: | 13220-46-7 |
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Name: | 4-Methyloxindole |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H9NO |
Molecular Weight: | 147.177 |
Synonyms: | 4-Methyl-2-oxoindoline;4-Methyloxindole;4-Methyl-1,3-dihydroindol-2-one;4-Methyl-2-oxindole; |
Density: | 1.155g/cm3 |
Boiling Point: | 318.4 °C at 760 mmHg |
Flash Point: | 183.3 °C |
PSA: | 29.10000 |
LogP: | 1.62760 |
The 2H-Indol-2-one,1,3-dihydro-4-methyl-, with CAS registry number 13220-46-7, has the systematic name of 4-methyl-1,3-dihydro-2H-indol-2-one. Besides this, it is also called 4-methylindolin-2-one. And the chemical formula of this chemical is C9H9NO.
Physical properties of 2H-Indol-2-one,1,3-dihydro-4-methyl-: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.85; (6)ACD/BCF (pH 7.4): 9.86; (7)ACD/KOC (pH 5.5): 179.01; (8)ACD/KOC (pH 7.4): 179.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 42.11 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 16.69×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 55.99 kJ/mol; (21)Boiling Point: 318.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000361 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc2NC(=O)Cc12
(2)InChI: InChI=1/C9H9NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
(3)InChIKey: USRZZPHRQZGXFH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H9NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
(5)Std. InChIKey: USRZZPHRQZGXFH-UHFFFAOYSA-N