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1015609-35-4

Basic Information
CAS No.: 1015609-35-4
Name: 1H-Pyrrolo[3,2-b]pyridin-6-ol
Molecular Structure:
Molecular Structure of 1015609-35-4 (1H-Pyrrolo[3,2-b]pyridin-6-ol)
Formula: C7H6N2O
Molecular Weight: 134.137
Synonyms: 1H-Pyrrolo[2,3-e]pyridin-6-ol;
Density: 1.434 g/cm3
Boiling Point: 369.7 °C at 760 mmHg
Flash Point: 177.4 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 48.91000
LogP: 1.26850
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Specification

The CAS registry number of 1H-Pyrrolo[3,2-b]pyridin-6-ol is 1015609-35-4. This chemical's molecular formula is C7H6N2O and molecular weight is 134.1353. What's more, its systematic name is also called 1H-Pyrrolo[2,3-e]pyridin-6-ol.

Physical properties about 1H-Pyrrolo[3,2-b]pyridin-6-ol are: (1)ACD/LogP: 0.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.05; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 48.91 Å2; (8)Index of Refraction: 1.76; (9)Molar Refractivity: 38.5 cm3; (10)Molar Volume: 93.5 cm3; (11)Polarizability: 15.26×10-24 cm3; (12)Surface Tension: 80.1 dyne/cm; (13)Density: 1.434 g/cm3; (14)Flash Point: 177.4 °C; (15)Enthalpy of Vaporization: 64.07 kJ/mol; (16)Boiling Point: 369.7 °C at 760 mmHg; (17)Vapour Pressure: 5.49E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc2nccc2nc1
(2) InChI: InChI=1/C7H6N2O/c10-5-3-7-6(9-4-5)1-2-8-7/h1-4,8,10H
(3) InChIKey: YPBPBVINIWDVDK-UHFFFAOYAO