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CAS No.: | 405174-48-3 |
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Name: | 4H-Pyrano[3,2-b]pyridin-4-one,2,3-dihydro-(9CI) |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H7NO2 |
Molecular Weight: | 149.149 |
Synonyms: | 2H-pyrano[3,2-b]pyridin-4(3H)-one; |
Density: | 1.274 g/cm3 |
Boiling Point: | 305.709 °C at 760 mmHg |
Flash Point: | 138.688 °C |
PSA: | 39.19000 |
LogP: | 1.04680 |
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The CAS register number of 2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one is 405174-48-3. It also can be called as 4H-pyrano[3,2-b]pyridin-4-one, 2,3-dihydro- and the IUPAC name about this chemical is 2,3-dihydropyrano[3,2-b]pyridin-4-one. The molecular formula about this chemical is C8H7NO2 and the molecular weight is 149.1467. It belongs to the following product categories which include Pyridine; API intermediates and so on.
Physical properties about 2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 0.804; (3)ACD/LogD (pH 7.4): 0.804; (4)ACD/BCF (pH 5.5): 2.402; (5)ACD/BCF (pH 7.4): 2.405; (6)ACD/KOC (pH 5.5): 65.16; (7)ACD/KOC (pH 7.4): 65.223; (8)#H bond acceptors: 3; (9)Polar Surface Area: 39.19Å2; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 38.254 cm3; (12)Molar Volume: 117.027 cm3; (13)Polarizability: 15.165x10-24cm3; (14)Surface Tension: 51.553 dyne/cm; (15)Flash Point: 138.688 °C; (16)Enthalpy of Vaporization: 54.617 kJ/mol; (17)Boiling Point: 305.709 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(nc1)C(=O)CCO2
(2)InChI: InChI=1/C8H7NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4H,3,5H2
(3)InChIKey: GKRJJPIVURFTGT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4H,3,5H2
(5)Std. InChIKey: GKRJJPIVURFTGT-UHFFFAOYSA-N