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2380-83-8

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Basic Information
CAS No.: 2380-83-8
Name: 5-hydroxy-6-methoxyindole
Molecular Structure:
Molecular Structure of 2380-83-8 (5-hydroxy-6-methoxyindole)
Formula: C9H9NO2
Molecular Weight: 163.176
Synonyms: Indol-5-ol,6-methoxy- (7CI,8CI);5-Hydroxy-6-methoxyindole;
Density: 1.313 g/cm3
Melting Point: 113 °C
Boiling Point: 359.877 °C at 760 mmHg
Flash Point: 171.448 °C
PSA: 45.25000
LogP: 1.88210
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Specification

The 1H-Indol-5-ol,6-methoxy-, with the CAS registry number 2380-83-8, is also known as 5-Hydroxy-6-methoxyindole. This chemical's molecular formula is C9H9NO2 and molecular weight is 163.17. What's more, both its IUPAC name and systematic name are the same which is called 6-Methoxy-1H-indol-5-ol.

Physical properties about 1H-Indol-5-ol,6-methoxy- are: (1)ACD/LogP: 0.593; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.66; (6)ACD/BCF (pH 7.4): 1.66; (7)ACD/KOC (pH 5.5): 50.05; (8)ACD/KOC (pH 7.4): 49.95; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.25 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 47.089 cm3; (15)Molar Volume: 124.304 cm3; (16)Polarizability: 18.667×10-24cm3; (17)Surface Tension: 57.566 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 171.448 °C; (20)Enthalpy of Vaporization: 62.938 kJ/mol; (21)Boiling Point: 359.877 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 1H-Indol-5-ol,6-methoxy-: this chemical can be prepared by (E)-5-hydroxy-4-methoxy-2,b-dinitrostyrene. This reaction needs reagent H2, catalyst Pd/C and solvent methanol at pressure of 775.7 Pa. The reaction time is 2 hours. The yield is 43 %.

1H-Indol-5-ol,6-methoxy- can be prepared by (E)-5-hydroxy-4-methoxy-2,b-dinitrostyrene.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc2c(cc1OC)ncc2
(2) InChI: InChI=1S/C9H9NO2/c1-12-9-5-7-6(2-3-10-7)4-8(9)11/h2-5,10-11H,1H3
(3) InChIKey: WZARGPVIAOAKMH-UHFFFAOYSA-N