Indole-7-carboxylic acid ethyl ester supplier

Name
Indole-7-carboxylic acid ethyl ester
EINECS
CAS No. 205873-58-1
Article Data5
CAS DataBase
Density 1.211 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NO₂
Boiling Point 342.357 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 160.852 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-7-carboxylic acid ethyl ester; Ethyl indole-7-carboxylate;
PSA 42.09000
LogP 2.34460

Indole-7-carboxylic acid ethyl ester Specification

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

Product Name

Indole-7-carboxylic acid ethyl ester

Indole-7-carboxylic acid ethyl ester Specification

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