4-Methoxyisoindoline supplier | CasNO.127168-73-4

Name
4-Methoxyisoindoline
EINECS
CAS No. 127168-73-4
Article Data13
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO
Boiling Point 265.1 °C at 760 mmHg
Molecular Weight 149.192
Flash Point 99.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-METHOXYISOINDOLINE;4-Methoxy-2,3-dihydro-1H-isoindole
PSA 21.26000
LogP 1.62720

4-Methoxyisoindoline 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

Product Name

4-Methoxyisoindoline

4-Methoxyisoindoline Specification

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