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CAS No.: | 221675-35-0 |
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Name: | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl ester |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.20 |
Synonyms: | 2-(Ethoxycarbonyl)-1H-pyrrolo[2,3-b]pyridine; |
Density: | 1.272 g/cm3 |
Boiling Point: | 355.936 °C at 760 mmHg |
Flash Point: | 169.064 °C |
PSA: | 54.98000 |
LogP: | 1.73960 |
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The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, ethyl ester is 221675-35-0. The systematic name is ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate. In addition, the molecular formula is C10H10N2O2 and the molecular weight is 190.20. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, ethyl ester are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 75; (5)ACD/BCF (pH 7.4): 76; (6)ACD/KOC (pH 5.5): 761; (7)ACD/KOC (pH 7.4): 774; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 54.98 Å2; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 53.026 cm3; (14)Molar Volume: 149.495 cm3; (15)Polarizability: 21.021 ×10-24cm3; (16)Surface Tension: 56.296 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 169.064 °C; (19)Enthalpy of Vaporization: 60.114 kJ/mol; (20)Boiling Point: 355.936 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc2cccnc2n1
(2)InChI: InChI=1/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
(3)InChIKey: CBIVEMGUNRNUEB-UHFFFAOYAF