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| CAS No.: | 58530-50-0 |
|---|---|
| Name: | (2-Pyridinyloxy)acetic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | Aceticacid, (2-pyridinyloxy)- (9CI);Acetic acid, (2-pyridyloxy)- (6CI,7CI);(2-Pyridinyloxy)acetic acid;2-(2-Pyridyloxy)acetic acid; |
| Density: | 1.3 g/cm3 |
| Melting Point: | 112-113 °C |
| Boiling Point: | 283.8 °C at 760 mmHg |
| Flash Point: | 125.5 °C |
| PSA: | 90.52000 |
| LogP: | 3.08870 |
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- Total:34 Page 1 of 1 1
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Specification
The (2-Pyridinyloxy)acetic acid, with the CAS registry number 58530-50-0, is also known as Acetic acid,2-(2-pyridinyloxy)-. This chemical's molecular formula is C7H7NO3 and molecular weight is 153.14. What's more, its IUPAC name is 2-Pyridin-2-yloxyacetic acid and systematic name is called (Pyridin-2-yloxy)acetic acid.
Physical properties about (2-Pyridinyloxy)acetic acid are: (1) ACD/LogP: 0.53; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 48.42 Å2; (11) Index of Refraction: 1.544; (12) Molar Refractivity: 37.21 cm3; (13) Molar Volume: 117.7 cm3; (14) Surface Tension: 54.2 dyne/cm; (15) Density: 1.3 g/cm3; (16) Flash Point: 125.5 °C; (17) Enthalpy of Vaporization: 55.22 kJ/mol; (18) Boiling Point: 283.8 °C at 760 mmHg; (19) Vapour Pressure: 0.00145 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)COc1ncccc1
(2) InChI: InChI=1/C7H7NO3/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)
(3) InChIKey: NLVYFXLILFDECX-UHFFFAOYAF