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CAS No.: | 75238-44-7 |
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Name: | 5-BENZYLOXYINDOLE-3-GLYOXYLIC ACID ETHYL ESTER |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C19H17NO4 |
Molecular Weight: | 323.34 |
Synonyms: | ethyl [5-(benzyloxy)-1H-indol-3-yl](oxo)acetate;5-Benzyloxyindole-3-glyoxylic acid ethyl ester; |
Density: | 1.269 g/cm3 |
Boiling Point: | 521.1 °C at 760 mmHg |
Flash Point: | 268.9 °C |
PSA: | 68.39000 |
LogP: | 3.49270 |
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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