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CAS No.: | 205873-58-1 |
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Name: | Indole-7-carboxylic acid ethyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H11NO2 |
Molecular Weight: | 189.214 |
Synonyms: | Indole-7-carboxylic acid ethyl ester; Ethyl indole-7-carboxylate; |
Density: | 1.211 g/cm3 |
Boiling Point: | 342.357 °C at 760 mmHg |
Flash Point: | 160.852 °C |
PSA: | 42.09000 |
LogP: | 2.34460 |
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The Indole-7-carboxylic acid ethyl ester, with the CAS registry number of 205873-58-1, is also known as 1H-Indole-7-carboxylicacid,ethylester(9CI). It belongs to the product category of Carboxylicester. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its systematic name is Ethyl 1H-indole-7-carboxylate.
Physical properties about the Indole-7-carboxylic acid ethyl ester are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 660; (8)ACD/KOC (pH 7.4): 660; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 54.935 cm3; (15)Molar Volume: 156.271 cm3; (16)Surface Tension: 49.902 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 160.852 °C; (19)Enthalpy of Vaporization: 58.611 kJ/mol; (20)Boiling Point: 342.357 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cccc2ccnc12
(2) InChI: InChI=1/C11H11NO2/c1-2-14-11(13)9-5-3-4-8-6-7-12-10(8)9/h3-7,12H,2H2,1H3
(3) InChIKey: WZXGOHXFXHUJLR-UHFFFAOYAX