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Ethanone,1-(1H-indol-2-yl)-

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Name

Ethanone,1-(1H-indol-2-yl)-

EINECS N/A
CAS No. 4264-35-1 Density 1.193 g/cm3
PSA 32.86000 LogP 2.37050
Solubility N/A Melting Point 154-155 °C
Formula C10H9NO Boiling Point 333.9 °C at 760 mmHg
Molecular Weight 159.188 Flash Point 163.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4264-35-1 (2-ACETYLINDOLE) Hazard Symbols N/A
Synonyms

Ketone,indol-2-yl methyl (7CI,8CI);1-(1H-Indol-2-yl)ethanone;2-Acetylindole;

Article Data 3

Ethanone,1-(1H-indol-2-yl)- Specification

The Ethanone,1-(1H-indol-2-yl)- with CAS registry number of 4264-35-1 is also called 2-Acetylindole. The systematic name is 1-(1H-indol-2-yl)ethanone. In addition, the molecular formula is C10H9NO and the molecular weight is 159.18. It is a kind of yellow crystalline solid and belongs to the classes of Acetylgroup; Indole Derivatives; Intermediates. And it can be used as intermediate for the synthesis of pharmaceutical actives.

Physical properties about Ethanone,1-(1H-indol-2-yl)- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.5; (5)ACD/BCF (pH 7.4): 9.5; (6)ACD/KOC (pH 5.5): 174.37; (7)ACD/KOC (pH 7.4): 174.37; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 22 Å2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 48.55 cm3; (14)Molar Volume: 133.4 cm3; (15)Polarizability: 19.24 ×10-24cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 163.7 °C; (19)Enthalpy of Vaporization: 57.68 kJ/mol; (20)Boiling Point: 333.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc1ccccc1n2)C
(2)InChI: InChI=1/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
(3)InChIKey: QXJMCSBBTMVSJS-UHFFFAOYAG

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