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CAS No.: | 13210-29-2 |
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Name: | Ethanone, 1-(3-hydroxy-2-pyridinyl)- (9CI) |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H7NO2 |
Molecular Weight: | 137.13598 |
Synonyms: | Ketone,3-hydroxy-2-pyridyl methyl (8CI);1-(3-Hydroxypyridin-2-yl)ethanone;2-Acetyl-3-hydroxypyridine; |
Density: | 1.218 g/cm3 |
Boiling Point: | 311.545 °C at 760 mmHg |
Flash Point: | 142.217 °C |
PSA: | 50.19000 |
LogP: | 0.98980 |
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The 1-(3-Hydroxypyridin-2-yl)ethanone, with the CAS registry number 13210-29-2, belongs to the product category of Acetylgroup. This chemical's molecular formula is C7H7NO2 and formula weight is 137.14. What's more, its systematic name is called 1-(3-hydroxypyridin-2-yl)ethanone.
Physical properties of 1-(3-Hydroxypyridin-2-yl)ethanone: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 216; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 36.254 cm3; (14)Molar Volume: 112.617 cm3; (15)Surface Tension: 51.452 dyne/cm; (16)Density: 1.218 g/cm3; (17)Flash Point: 142.217 °C; (18)Enthalpy of Vaporization: 57.45 kJ/mol; (19)Boiling Point: 311.545 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccnc1C(=O)C
(2)InChI: InChI=1/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
(3)InChIKey: DYFSAZGSIBFUAI-UHFFFAOYAI