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| CAS No.: | 119293-03-7 |
|---|---|
| Name: | Furo[3,2-b]pyridin-3(2H)-one(9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H5NO2 |
| Molecular Weight: | 135.122 |
| Synonyms: | Furo[3,2-b]pyridin-3(2H)-one(9CI);furo[3,2-b]pyridin-3-ol;furo[3,2-b]pyridin-3(2H)-one;Furo[3,2-b]pyridin-3-one |
| Density: | 1.361 g/cm3 |
| Boiling Point: | 289.63 °C at 760 mmHg |
| Flash Point: | 128.964 °C |
| PSA: | 39.19000 |
| LogP: | 0.65670 |
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Specification
The Furo[3,2-b]pyridin-3(2H)-one, with the CAS registry number 119293-03-7, belongs to the product category of Pyridine. This chemical's molecular formula is C7H5NO2 and molecular weight is 135.12. What's more, its systematic name is Furo[3,2-b]pyridin-3(2H)-one.
Physical properties of Furo[3,2-b]pyridin-3(2H)-one are: (1)ACD/LogP: 1.096; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.10; (4)ACD/LogD (pH 7.4): 1.10; (5)ACD/BCF (pH 5.5): 4.00; (6)ACD/BCF (pH 7.4): 4.01; (7)ACD/KOC (pH 5.5): 93.90; (8)ACD/KOC (pH 7.4): 93.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 33.642 cm3; (15)Molar Volume: 99.289 cm3; (16)Polarizability: 13.337×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 128.964 °C; (20)Enthalpy of Vaporization: 52.895 kJ/mol; (21)Boiling Point: 289.63 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2COc1cccnc12
(2)Std. InChI: InChI=1S/C7H5NO2/c9-5-4-10-6-2-1-3-8-7(5)6/h1-3H,4H2
(3)Std. InChIKey: PBITTYWTCTZBSX-UHFFFAOYSA-N