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21987-25-7

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Basic Information
CAS No.: 21987-25-7
Name: 5-methoxy-3-methyl-1H-indole
Article Data: 1
Molecular Structure:
Molecular Structure of 21987-25-7 (5-methoxy-3-methyl-1H-indole)
Formula: C10H11NO
Molecular Weight: 161.203
Synonyms: 5-methoxy-3-methyl-1H-indole
Density: 1.134 g/cm3
Boiling Point: 308.452 °C at 760 mmHg
Flash Point: 113.107 °C
PSA: 25.02000
LogP: 2.48490
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Specification

The CAS registry number of 1H-Indole, 5-methoxy-3-methyl- is 21987-25-7. This chemical's molecular formula is C10H11NO and molecular weight is 161.2004. Its systematic name is called 5-methoxy-3-methyl-1H-indole.

Physical properties of 1H-Indole, 5-methoxy-3-methyl-: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 48; (5)ACD/BCF (pH 7.4): 48; (6)ACD/KOC (pH 5.5): 558; (7)ACD/KOC (pH 7.4): 558; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 50.032 cm3; (13)Molar Volume: 142.149 cm3; (14)Surface Tension: 43.483 dyne/cm; (15)Density: 1.134 g/cm3; (16)Flash Point: 113.107 °C; (17)Enthalpy of Vaporization: 52.721 kJ/mol; (18)Boiling Point: 308.452 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2c(cc1)ncc2C)C
(2)InChI: InChI=1/C10H11NO/c1-7-6-11-10-4-3-8(12-2)5-9(7)10/h3-6,11H,1-2H3
(3)InChIKey: YSOFHURJVUIKMU-UHFFFAOYAE