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10184-98-2

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Basic Information
CAS No.: 10184-98-2
Name: diethyl (1H-indol-3-ylmethyl)propanedioate
Article Data: 16
Molecular Structure:
Molecular Structure of 10184-98-2 (diethyl (1H-indol-3-ylmethyl)propanedioate)
Formula: C16H19NO4
Molecular Weight: 289.331
Synonyms: Diethyl (1H-indol-3-ylmethyl)propanedioate;
Density: 1.2 g/cm3
Boiling Point: 431.2 °C at 760 mmHg
Flash Point: 214.6 °C
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    diethyl (1H-indol-3-ylmethyl)propanedioate

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Specification

The CAS registry number of Diethyl 2-(1H-indol-3-ylmethyl)propanedioate is 10184-98-2. Its molecular formula is C16H19NO4 and molecular weight is 289.3264. Its systematic name and IUPAC name are the same which is called diethyl (1H-indol-3-ylmethyl)propanedioate.

Physical properties about Diethyl 2-(1H-indol-3-ylmethyl)propanedioate are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.572; (7)Molar Refractivity: 79.38 cm3; (8)Molar Volume: 241 cm3; (9)Surface Tension: 47.4 dyne/cm; (10)Density: 1.2 g/cm3; (11)Flash Point: 214.6 °C; (12)Enthalpy of Vaporization: 68.68 kJ/mol; (13)Boiling Point: 431.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)Cc2c1ccccc1nc2
(2)InChI: nChI=1/C16H19NO4/c1-3-20-15(18)13(16(19)21-4-2)9-11-10-17-14-8-6-5-7-12(11)14/h5-8,10,13,17H,3-4,9H2,1-2H3
(3)InChIKey: NRILVVVGVUMKEK-UHFFFAOYAU