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CAS No.: | 17288-32-3 |
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Name: | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester;Ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate; |
Density: | 1.272 g/cm3 |
Melting Point: | 179-181 °C |
Boiling Point: | 355.936 °C at 760 mmHg |
Flash Point: | 169.064 °C |
PSA: | 54.98000 |
LogP: | 1.73960 |
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The Ethyl 4-azaindole-2-carboxylate, with the CAS registry number 17288-32-3, is also known as 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.20. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
Physical properties about Ethyl 4-azaindole-2-carboxylate are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.98 Å2; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 53.026 cm3; (9)Molar Volume: 149.495 cm3; (10)Surface Tension: 56.296 dyne/cm; (11)Density: 1.272 g/cm3; (12)Flash Point: 169.064 °C; (13)Enthalpy of Vaporization: 60.114 kJ/mol; (14)Boiling Point: 355.936 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2cc1ncccc1n2
(2) InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3
(3) InChIKey: NOWHXIDXMNNYBL-UHFFFAOYSA-N