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| CAS No.: | 13115-43-0 |
|---|---|
| Name: | 2-Pyridylacetic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H7NO2 |
| Molecular Weight: | 137.138 |
| Synonyms: | (2-Pyridinyl)aceticacid;2-(2-Pyridyl)acetic acid;2-(Pyridin-2-yl)acetic acid;2-Pyridylaceticacid;2-Pyridylacetic acid; |
| Density: | 1.246 g/cm3 |
| Boiling Point: | 276.173 °C at 760 mmHg |
| Flash Point: | 120.825 °C |
| PSA: | 50.19000 |
| LogP: | 0.70870 |
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Specification
The 2-Pyridylacetic acid, with the CAS registry number 13115-43-0, is also known as 2-(Pyridin-2-yl)acetic acid. This chemical's molecular formula is C7H7NO2 and molecular weight is 137.14. What's more, its systematic name is 2-Pyridinylacetic acid.
Physical properties of 2-Pyridylacetic acid are: (1)ACD/LogP: 0.214; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 35.458 cm3; (15)Molar Volume: 110.1 cm3; (16)Polarizability: 14.057×10-24cm3; (17)Surface Tension: 55.0 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 120.825 °C; (20)Enthalpy of Vaporization: 54.364 kJ/mol; (21)Boiling Point: 276.173 °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=C(O)Cc1ncccc1
(2)Std. InChI: InChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)
(3)Std. InChIKey: BPSNETAIJADFTO-UHFFFAOYSA-N