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| CAS No.: | 5657-51-2 |
|---|---|
| Name: | Furo[3,4-b]pyridin-5(7H)-one |
| Molecular Structure: | |
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| Formula: | C7H5NO2 |
| Molecular Weight: | 135.122 |
| Synonyms: | 4-Azaphthalide; |
| EINECS: | 811-772-0 |
| Density: | 1.36 g/cm3 |
| Melting Point: | 142-144 °C |
| Boiling Point: | 330.9 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| PSA: | 39.19000 |
| LogP: | 0.75200 |
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Specification
The Furo[3,4-b]pyridin-5(7H)-one, with the CAS registry number of 5657-51-2, is also known as 4-Azaphthalide. This chemical's molecular formula is C7H5NO2 and molecular weight is 135.12. What's more, its IUPAC name is 7H-Furo[3,4-b]pyridin-5-one.
Physical properties about the Furo[3,4-b]pyridin-5(7H)-one are: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 33.64 cm3; (9)Molar Volume: 99.2 cm3; (10)Surface Tension: 57.5 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 153.9 °C; (13)Enthalpy of Vaporization: 57.36 kJ/mol; (14)Boiling Point: 330.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000161 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C1OCc2ncccc12
(2) InChI:InChI=1/C7H5NO2/c9-7-5-2-1-3-8-6(5)4-10-7/h1-3H,4H2
(3) InChIKey:YSJHADWSLVFGGT-UHFFFAOYAO