Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrrolo[2,3-b]pyridine-3-aceticacid |
EINECS | N/A |
CAS No. | 1912-42-1 | Density | 1.437 g/cm3 |
PSA | 65.98000 | LogP | 1.58010 |
Solubility | N/A | Melting Point |
214.5-215.0 °C (decomp) |
Formula | C9H8N2O2 | Boiling Point | 436.9 °C at 760 mmHg |
Molecular Weight | 176.175 | Flash Point | 218.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1H-Pyrrolo[2,3-b]pyridin-3-yl)aceticacid;7-Azaindole-3-acetic acid; |
The 1H-Pyrrolo[2, 3-b]pyridine-3-aceticacid, with the CAS registry number 1912-42-1, is also known as 1H-pyrrolo[2, 3-b]pyridin-3-ylacetic acid. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.172. What's more, its IUPAC name is 2-(1H-pyrrolo[2, 3-b]pyridin-3-yl)acetic acid.
Physical properties about 1H-Pyrrolo[2, 3-b]pyridine-3-aceticacid are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 65.98 Å2; (7)Index of Refraction: 1.707; (8)Molar Refractivity: 47.73 cm3; (9)Molar Volume: 122.5 cm3; (10)Polarizability: 18.92×10-24 cm3; (11)Surface Tension: 77.2 dyne/cm; (12)Density: 1.437 g/cm3; (13)Flash Point: 218.1 °C; (14)Enthalpy of Vaporization: 73.09 kJ/mol; (15)Boiling Point: 436.9 °C at 760 mmHg; (16)Vapour Pressure: 2.08E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)Cc2cnc1ncccc12
(2) InChI: InChI=1/C9H8N2O2/c12-8(13)4-6-5-11-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,10,11)(H,12,13)
(3) InChIKey: NQHGQOVKJGGLKE-UHFFFAOYAE