Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester supplier

Name
Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester
EINECS
CAS No. 884494-66-0
Density 1.273 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₄
Boiling Point 409.8 °C at 760 mmHg
Molecular Weight 247.251
Flash Point 201.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethyl 5-methyl 1H-indole-2,5-dicarboxylate;Ethyl 5-(methoxycarbonyl)indole-2-carboxylate;Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester;
PSA 68.39000
LogP 2.13120

Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester Specification

This chemical is called 1H-indole-2,5-dicarboxylic acid, 2-ethyl 5-methyl ester, and its systematic name is 2-Ethyl 5-methyl 1H-indole-2,5-dicarboxylate. With the molecular formula of C₁₃H₁₃NO₄, its molecular weight is 247.25. The CAS registry number of this chemical is 884494-66-0. Additionally, its product categories are Indole/indoline/oxindole; Indole and Indoline; Indole.

Other characteristics of the 1H-indole-2,5-dicarboxylic acid can be summarised as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 288.23; (6)ACD/BCF (pH 7.4): 288.23; (7)ACD/KOC (pH 5.5): 2005.78; (8)ACD/KOC (pH 7.4): 2005.78; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 66.7 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 26.44×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.273 g/cm³; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 66.21 kJ/mol; (21)Boiling Point: 409.8 °C at 760 mmHg; (22)Vapour Pressure: 6.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc2c(cc1)nc(c2)C(=O)OCC
2.InChI: InChI=1/C13H13NO4/c1-3-18-13(16)11-7-9-6-8(12(15)17-2)4-5-10(9)14-11/h4-7,14H,3H2,1-2H3
3.InChIKey: DFILAPAOMFUIAA-UHFFFAOYAM

Product Name

Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester

Indole-2,5-dicarboxylic acid 2-ethyl ester 5-methyl ester Specification

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