2-Pyridineacetic acid,3-carboxy-, 2-ethyl ester supplier

Name
2-(2-ETHOXY-2-OXOETHYL)NICOTINIC ACID
EINECS
CAS No. 35969-51-8
Article Data8
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 134-136°C
Formula C₁₀H₁₁NO₄
Boiling Point 345.3 °C at 760 mmHg
Molecular Weight 209.202
Flash Point 162.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyridineaceticacid, 3-carboxy-, a-ethyl ester (9CI);2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid;
PSA 76.49000
LogP 0.88540

2-Pyridineacetic acid,3-carboxy-, 2-ethyl ester Specification

The 2-Pyridineacetic acid,3-carboxy-, 2-ethyl ester, with the CAS registry number 35969-51-8, has the systematic name of 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid. And the molecular formula of this chemical is C₁₀H₁₁NO₄. It is a kind of irritant chemical, and should be stored in the dry and cool environment.

The physical properties of 2-Pyridineacetic acid,3-carboxy-, 2-ethyl ester are as following: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.49 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 51.86 cm³; (15)Molar Volume: 164.4 cm³; (16)Polarizability: 20.56×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 162.6 °C; (20)Enthalpy of Vaporization: 62.2 kJ/mol; (21)Boiling Point: 345.3 °C at 760 mmHg; (22)Vapour Pressure: 2.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1ncccc1C(=O)O
(2)InChI: InChI=1/C10H11NO4/c1-2-15-9(12)6-8-7(10(13)14)4-3-5-11-8/h3-5H,2,6H2,1H3,(H,13,14)
(3)InChIKey: HWWYQJVDTXVUMB-UHFFFAOYAJ

Product Name

2-(2-ETHOXY-2-OXOETHYL)NICOTINIC ACID

2-Pyridineacetic acid,3-carboxy-, 2-ethyl ester Specification

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