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27224-27-7

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Basic Information
CAS No.: 27224-27-7
Name: 1H-Pyrrolo[3,2-b]pyridine-3-aceticacid(8CI,9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 27224-27-7 (1H-Pyrrolo[3,2-b]pyridine-3-aceticacid(8CI,9CI))
Formula: C9H8N2O2
Molecular Weight: 176.175
Synonyms: 2-Pyrrolo[3,2-b]pyridin-3-ylacetic acid;
Density: 1.438 g/cm3
Boiling Point: 436.946 °C at 760 mmHg
Flash Point: 218.057 °C
PSA: 65.98000
LogP: 1.19000
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Specification

The 1H-Pyrrolo[3,2-b]pyridine-3-aceticacid, with the CAS registry number 27224-27-7, is also known as 2-Pyrrolo[3,2-b]pyridin-3-ylacetic acid. It belongs to the product category of Indole. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.172. What's more, its systematic name is called 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-3-aceticacid are: (1)ACD/LogP: 0.62; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 47.734 cm3; (13)Molar Volume: 122.538 cm3; (14)Polarizability: 18.923×10-24 cm3; (15)Surface Tension: 77.221 dyne/cm; (16)Density: 1.438 g/cm3; (17)Flash Point: 218.057 °C; (18)Enthalpy of Vaporization: 73.094 kJ/mol; (19)Boiling Point: 436.946 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c[nH]2)CC(=O)O)nc1
(2) InChI: InChI=1/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13)
(3) InChIKey: JRQIMQAZVVLLKI-UHFFFAOYAI