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CAS No.: | 1015609-35-4 |
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Name: | 1H-Pyrrolo[3,2-b]pyridin-6-ol |
Molecular Structure: | |
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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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