CAS No.1234616-14-8,Ethyl 1H-pyrazolo[4,3-b]p... Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1234616-14-8
Name:	Ethyl 1H-pyrazolo[4,3-b]p...

Formula:	C₉H₉N₃O₂
Molecular Weight:	191.19
Synonyms:	1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, ethyl ester;
Density:	1.34 g/cm³
Boiling Point:	369.009 °C at 760 mmHg
Flash Point:	176.971 °C
PSA:	67.87000
LogP:	1.13460

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Specification

Ethyl 1H-pyrazolo[4,3-b]pyridine-3-carboxylate, with the CAS registry number 1234616-14-8, is also named as 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, ethyl ester. This chemical's molecular formula is C₉H₉N₃O₂ and molecular weight is 191.19. What's more, its systematic name is Ethyl 1H-pyrazolo[4,3-b]pyridine-3-carboxylate.

Physical properties of Ethyl 1H-pyrazolo[4,3-b]pyridine-3-carboxylate are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.14; (6)ACD/BCF (pH 7.4): 10.78; (7)ACD/KOC (pH 5.5): 195.34; (8)ACD/KOC (pH 7.4): 189.10; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.87 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 51.117 cm³; (15)Molar Volume: 142.719 cm³; (16)Polarizability: 20.264×10^-24cm³; (17)Surface Tension: 63.982 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 176.971 °C; (20)Enthalpy of Vaporization: 61.573 kJ/mol; (21)Boiling Point: 369.009 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c2c(cccn2)[nH]n1
(2)Std. InChI: InChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-6(11-12-8)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)
(3)Std. InChIKey: AVYQUJPXOZPFCU-UHFFFAOYSA-N