Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate |
EINECS | N/A |
CAS No. | 75238-44-7 | Density | 1.269 g/cm3 |
PSA | 68.39000 | LogP | 3.49270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H17NO4 | Boiling Point | 521.1 °C at 760 mmHg |
Molecular Weight | 323.34 | Flash Point | 268.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ethyl [5-(benzyloxy)-1H-indol-3-yl](oxo)acetate;5-Benzyloxyindole-3-glyoxylic acid ethyl ester; |
Article Data | 1 |
The systematic name of this chemical is Ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate. With the cas registry number 75238-44-7, it is also called 5-Benzyloxyindole-3-glyoxylic acid ethyl ester. It belongs to the product categories of Indoles and derivatives. And the molecular formula of this chemical is C19H17NO4.
The physical properties of Ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate are as following: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 57.53 ?2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 90.76 cm3; (9)Molar Volume: 254.6 cm3; (10)Polarizability: 35.98 10-24cm3; (11)Surface Tension: 53.6 dyne/cm; (12)Density: 1.269 g/cm3; (13)Flash Point: 268.9 °C; (14)Enthalpy of Vaporization: 79.42 kJ/mol; (15)Boiling Point: 521.1 °C at 760 mmHg; (16)Vapour Pressure: 5.87E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=O)c3c2cc(OCc1ccccc1)ccc2nc3
(2)InChI: InChI=1/C19H17NO4/c1-2-23-19(22)18(21)16-11-20-17-9-8-14(10-15(16)17)24-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3
(3)InChIKey: GEOTYZHKCQCORI-UHFFFAOYAT