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62663-26-7

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Basic Information
CAS No.: 62663-26-7
Name: 5,6-DIMETHOXY-2-PHENYLINDOLE
Article Data: 4
Molecular Structure:
Molecular Structure of 62663-26-7 (5,6-DIMETHOXY-2-PHENYLINDOLE)
Formula: C16H15NO2
Molecular Weight: 253.301
Synonyms: 5,6-Dimethoxy-2-phenylindole 97%;
Density: 1.177 g/cm3
Melting Point: 180-181 °C(Solv: benzene (71-43-2))
Boiling Point: 445.1 °C at 760 mmHg
Flash Point: 159.9 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 34.25000
LogP: 3.85210
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Specification

The 1H-Indole,5,6-dimethoxy-2-phenyl-, with the CAS registry number 62663-26-7, is also known as 5,6-Dimethoxy-2-phenylindole 97%. This chemical's molecular formula is C16H15NO2 and molecular weight is 253.2958. Its IUPAC name is called 5,6-dimethoxy-2-phenyl-1H-indole. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of 1H-Indole,5,6-dimethoxy-2-phenyl-: (1)ACD/LogP: 4.35; (2)ACD/LogD (pH 5.5): 4.35; (3)ACD/LogD (pH 7.4): 4.35; (4)ACD/BCF (pH 5.5): 1197; (5)ACD/BCF (pH 7.4): 1197; (6)ACD/KOC (pH 5.5): 5557.74; (7)ACD/KOC (pH 7.4): 5557.74; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 76.47 cm3; (13)Molar Volume: 215.1 cm      ; (14)Surface Tension: 45 dyne/cm; (15)Density: 1.177 g/cm3; (16)Flash Point: 159.9 °C; (17)Enthalpy of Vaporization: 67.6 kJ/mol; (18)Boiling Point: 445.1 °C at 760 mmHg; (19)Vapour Pressure: 1.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C(=C1)C=C(N2)C3=CC=CC=C3)OC
(2)InChI: InChI=1S/C16H15NO2/c1-18-15-9-12-8-13(11-6-4-3-5-7-11)17-14(12)10-16(15)19-2/h3-10,17H,1-2H3
(3)InChIKey: VXTHRFKFXIWSTO-UHFFFAOYSA-N