CAS No.50614-84-1,Ethyl 1H-indole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50614-84-1
Name:	Ethyl 1H-indole-4-carboxylate
Article Data:	13

Formula:	C₁₁H₁₁NO₂
Molecular Weight:	189.214
Synonyms:	Ethyl4-indolecarboxylate;Ethyl indole-4-carboxylate;
Density:	1.21 g/cm³
Melting Point:	70-71 °C
Boiling Point:	342.4 °C at 760 mmHg
Flash Point:	160.9 °C
PSA:	42.09000
LogP:	2.34460

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Specification

The systematic name of Ethyl indole-4-carboxylate is ethyl 1H-indole-4-carboxylate. With the CAS registry number 50614-84-1, it is also named as 1H-indole-4-carboxylic acid, ethyl ester. The product's categories are Blocks; Carboxes; Indoles Oxindoles. In addition, its molecular formula is C₁₁H₁₁NO₂ and its molecular weight is 189.21.

The other characteristics of Ethyl indole-4-carboxylate can be summarized as: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.97; (6)ACD/BCF (pH 7.4): 60.97; (7)ACD/KOC (pH 5.5): 659.77; (8)ACD/KOC (pH 7.4): 659.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 54.93 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 21.77×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 160.9 °C; (20)Enthalpy of Vaporization: 58.61 kJ/mol; (21)Boiling Point: 342.4 °C at 760 mmHg; (22)Vapour Pressure: 7.57E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1cccc2c1ccn2
(2)InChI: InChI=1/C11H11NO2/c1-2-14-11(13)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,2H2,1H3
(3)InChIKey: ZIUDZKABRXGZFO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,2H2,1H3
(5)Std. InChIKey: ZIUDZKABRXGZFO-UHFFFAOYSA-N