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| CAS No.: | 127168-73-4 |
|---|---|
| Name: | 4-Methoxyisoindoline |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 4-METHOXYISOINDOLINE;4-Methoxy-2,3-dihydro-1H-isoindole |
| Density: | 1.076 g/cm3 |
| Boiling Point: | 265.1 °C at 760 mmHg |
| Flash Point: | 99.4 °C |
| PSA: | 21.26000 |
| LogP: | 1.62720 |
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- Total:16 Page 1 of 1 1
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Specification
The 4-Methoxyisoindoline, with the CAS registry number 127168-73-4, has the systematic name 4-methoxy-2,3-dihydro-1H-isoindole. Its molecular formula is C9H11NO and its molecular weight is 149.1897.
Other characteristics of the 4-Methoxyisoindoline can be summarised as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.59; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.26 Å2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 43.84 cm3; (13)Molar Volume: 138.5 cm3; (14)Polarizability: 17.38×10-24cm3; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.076 g/cm3; (17)Flash Point: 99.4 °C; (18)Enthalpy of Vaporization: 50.3 kJ/mol; (19)Boiling Point: 265.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00936 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc2cccc1CNCc12
2.InChI: InChI=1/C9H11NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-4,10H,5-6H2,1H3
3.InChIKey: DCDSDKAYJZLMEX-UHFFFAOYAE