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CAS No.: | 1015609-51-4 |
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Name: | (1H-Pyrrolo[3,2-b]pyridin-6-yl)methanol |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.1619 |
Synonyms: | 1H-Pyrrolo[2,3-e]pyridin-6-ylmethanol;1H-pyrrolo[3,2-b]pyridin-6-ylmethanol; |
Density: | 1.36 g/cm3 |
Boiling Point: | 376.7 °C at 760 mmHg |
Flash Point: | 181.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 48.91000 |
LogP: | 1.05520 |
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The IUPAC name of this product is 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol, and its CAS registry number is 1015609-51-4. It is also named as 1H-Pyrrolo[2,3-e]pyridin-6-ylmethanol. This chemical's molecular formula is C8H8N2O and molecular weight is 148.1619. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about (1H-Pyrrolo[3,2-b]pyridin-6-yl)methanol are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 48.91 Å2; (6)Index of Refraction: 1.721; (7)Molar Refractivity: 43.07 cm3; (8)Molar Volume: 108.9 cm3; (9)Polarizability: 17.07×10-24 cm3; (10)Surface Tension: 73 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 181.6 °C; (13)Enthalpy of Vaporization: 65.87 kJ/mol; (14)Boiling Point: 376.7 °C at 760 mmHg; (15)Vapour Pressure: 2.41E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc2nccc2nc1
(2) InChI: InChI=1/C8H8N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-4,9,11H,5H2
(3) InChIKey: PHEOXCPRDIGDAZ-UHFFFAOYAV