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CAS No.: | 37865-86-4 |
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Name: | 6-ethoxy-1H-indole |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H11NO |
Molecular Weight: | 161.203 |
Synonyms: | Indole,6-ethoxy- (6CI,7CI);6-Ethoxy-1H-indole;6-Ethoxyindole; |
EINECS: | 253-696-5 |
Density: | 1.132g/cm3 |
Boiling Point: | 309 °C at 760 mmHg |
Flash Point: | 113.3 °C |
PSA: | 25.02000 |
LogP: | 2.56660 |
The 1H-Indole, 6-ethoxy-, with CAS registry number 37865-86-4, has the systematic name of 6-ethoxy-1H-indole. Besides this, it is also called 6-Ethoxyindole. Its molecular weight is 161.20044. And the chemical formula of this chemical is C10H11NO. What's more, its EINECS is 253-696-5.
Physical properties of 1H-Indole, 6-ethoxy-: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.22; (6)ACD/BCF (pH 7.4): 49.22; (7)ACD/KOC (pH 5.5): 566.06; (8)ACD/KOC (pH 7.4): 566.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 49.83 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 19.75×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 113.3 °C; (20)Enthalpy of Vaporization: 52.78 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 0.0012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc2c(c1)ncc2)CC
(2)InChI: InChI=1/C10H11NO/c1-2-12-9-4-3-8-5-6-11-10(8)7-9/h3-7,11H,2H2,1H3
(3)InChIKey: RPMWEGXHQSEPPH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H11NO/c1-2-12-9-4-3-8-5-6-11-10(8)7-9/h3-7,11H,2H2,1H3
(5)Std. InChIKey: RPMWEGXHQSEPPH-UHFFFAOYSA-N