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| CAS No.: | 848093-05-0 |
|---|---|
| Name: | 2-Pyridineacetic acid, 5-methyl- (9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 187.626 |
| Synonyms: | (5-methylpyridin-2-yl)acetic acid;2-(5-methylpyridin-2-yl)acetic acid;2-pyridineacetic acid, 5-methyl-; |
| EINECS: | 1592732-453-0 |
| Density: | 1.196 g/cm3 |
| Boiling Point: | 294.1 °C at 760 mmHg |
| Flash Point: | 131.6 °C |
| PSA: | 50.19000 |
| LogP: | 1.01710 |
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Specification
The 2-Pyridineacetic acid,5-methyl-, with the CAS registry number 848093-05-0, has the systematic name of (5-methylpyridin-2-yl)acetic acid. It belongs to the product category of Pyrimidine. And the molecular formula of this chemical is C8H9NO2.
The physical properties of 2-Pyridineacetic acid,5-methyl- are as following: (1)ACD/LogP: 0.47; (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): 1.25; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 40.28 cm3; (13)Molar Volume: 126.3 cm3; (14)Polarizability: 15.96×10-24cm3; (15)Surface Tension: 50.8 dyne/cm; (16)Density: 1.196 g/cm3; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 56.36 kJ/mol; (19)Boiling Point: 294.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000754 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccc(C)cn1
(2)InChI: InChI=1/C8H9NO2/c1-6-2-3-7(9-5-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
(3)InChIKey: TYHTUJMBDHMENY-UHFFFAOYAL