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CAS No.: | 27065-94-7 |
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Name: | (3-FORMYL-INDOL-1-YL)-ACETIC ACID ETHYL ESTER |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C13H13NO3 |
Molecular Weight: | 231.25 |
Synonyms: | 3-Formyl-1h-indole-1-acetic acid ethyl ester;(3-Formyl-indol-1-yl)-acetic acid ethyl ester;Ethyl (3-formyl-indol-1-yl)-acetate; |
Density: | 1.18 g/cm3 |
Boiling Point: | 397.5 °C at 760 mmHg |
Flash Point: | 194.2 °C |
Hazard Symbols: | Xi |
PSA: | 48.30000 |
LogP: | 2.01690 |
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The CAS register number of Ethyl (3-formyl-1H-indol-1-yl)acetate is 27065-94-7. It also can be called as 3-Formyl-1h-indole-1-acetic acid ethyl ester. The molecular formula about this chemical is C13H13NO3 and the molecular weight is 231.25.
Physical properties about Ethyl (3-formyl-1H-indol-1-yl)acetate are: (1)ACD/LogP: 2.37; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 48.3 Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 64.22 cm3; (7)Molar Volume: 195.8 cm3; (8)Polarizability: 25.45x10-24cm3; (9)Surface Tension: 43.7 dyne/cm; (10)Density: 1.18 g/cm3; (11)Flash Point: 194.2 °C; (12)Enthalpy of Vaporization: 64.8 kJ/mol; (13)Boiling Point: 397.5 °C at 760 mmHg; (14)Vapour Pressure: 1.58E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1ccccc1n(c2)CC(=O)OCC
(2)InChI: InChI=1/C13H13NO3/c1-2-17-13(16)8-14-7-10(9-15)11-5-3-4-6-12(11)14/h3-7,9H,2,8H2,1H3
(3)InChIKey: YBKKLZGZHIBOBZ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H13NO3/c1-2-17-13(16)8-14-7-10(9-15)11-5-3-4-6-12(11)14/h3-7,9H,2,8H2,1H3
(5)Std. InChIKey: YBKKLZGZHIBOBZ-UHFFFAOYSA-N