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CAS No.: | 357263-40-2 |
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Name: | 1H-Pyrrolo[2,3-c]pyridine,4-methoxy-(9CI) |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.164 |
Synonyms: | HIN2096;4-Methoxy-6-azaindole; |
Density: | 1.244 g/cm3 |
Boiling Point: | 334.084 °C at 760 mmHg |
Flash Point: | 113.831 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 37.91000 |
LogP: | 1.57150 |
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The 1H-Pyrrolo[2,3-c]pyridine,4-methoxy-, with the CAS registry number 357263-40-2, belongs to the product category of Pyridine. This chemical's molecular formula is C8H8N2O and molecular weight is 148.1619.
Physical properties about 1H-Pyrrolo[2,3-c]pyridine,4-methoxy- are: (1)ACD/LogP: 2.37; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 53; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.91 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 43.298 cm3; (14)Molar Volume: 119.098 cm3; (15)Polarizability: 17.165×10-24 cm3; (16)Surface Tension: 53.121 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 113.831 °C; (19)Enthalpy of Vaporization: 55.413 kJ/mol; (20)Boiling Point: 334.084 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc2cncc1nccc12
(2) InChI: InChI=1/C8H8N2O/c1-11-8-5-9-4-7-6(8)2-3-10-7/h2-5,10H,1H3
(3) InChIKey: UPDSOLUKSUHRDC-UHFFFAOYAH