1H-Indole-2,3-dicarboxylicacid, 2,3-diethyl ester supplier

Name
diethyl-4-1H-indole-2，3-dicarboxylate
EINECS
CAS No. 128942-88-1
Article Data7
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 128-129 °C
Formula C₁₄H₁₅NO₄
Boiling Point 390.789 °C at 760 mmHg
Molecular Weight 261.277
Flash Point 190.143 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indole-2,3-dicarboxylicacid, diethyl ester (9CI);
PSA 68.39000
LogP 2.52130

1H-Indole-2,3-dicarboxylicacid, 2,3-diethyl ester Specification

The CAS registry number of 1H-Indole-2,3-dicarboxylicacid, 2,3-diethyl ester is 128942-88-1. This chemical's molecular formula is C₁₄H₁₅NO₄ and molecular weight is 261.2732. Its IUPAC name is called diethyl 1H-indole-2,3-dicarboxylate.

Physical properties of 1H-Indole-2,3-dicarboxylicacid, 2,3-diethyl ester: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.164; (3)ACD/LogD (pH 7.4): 3.164; (4)ACD/BCF (pH 5.5): 149.423; (5)ACD/BCF (pH 7.4): 149.423; (6)ACD/KOC (pH 5.5): 1253.308; (7)ACD/KOC (pH 7.4): 1253.306; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 71.341 cm³; (13)Molar Volume: 210.671 cm³; (14)Surface Tension: 49.919 dyne/cm; (15)Density: 1.24 g/cm³; (16)Flash Point: 190.143 °C; (17)Enthalpy of Vaporization: 64.031 kJ/mol; (18)Boiling Point: 390.789 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(NC2=CC=CC=C21)C(=O)OCC
(2)InChI: InChI=1S/C14H15NO4/c1-3-18-13(16)11-9-7-5-6-8-10(9)15-12(11)14(17)19-4-2/h5-8,15H,3-4H2,1-2H3
(3)InChIKey: ACRLQZPDQPXNPX-UHFFFAOYSA-N

Product Name

diethyl-4-1H-indole-2，3-dicarboxylate

1H-Indole-2,3-dicarboxylicacid, 2,3-diethyl ester Specification

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