2-Pyridineacetic acid,5-methyl- supplier

Name
2-Pyridineacetic acid, 5-methyl- (9CI)
EINECS 1592732-453-0
CAS No. 848093-05-0
Article Data2
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point
Formula C₈H₉NO₂
Boiling Point 294.1 °C at 760 mmHg
Molecular Weight 187.626
Flash Point 131.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-methylpyridin-2-yl)acetic acid;2-(5-methylpyridin-2-yl)acetic acid;2-pyridineacetic acid, 5-methyl-;
PSA 50.19000
LogP 1.01710

2-Pyridineacetic acid,5-methyl- 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

Product Name

2-Pyridineacetic acid, 5-methyl- (9CI)

2-Pyridineacetic acid,5-methyl- Specification

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