2-Quinolinepropanoicacid, a-oxo-, ethyl ester supplier

Name
2-OXO-3-QUINOLIN-2-YL-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 13119-76-1
Article Data5
CAS DataBase
Density 1.218g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃NO₃
Boiling Point 387.1 °C at 760 mmHg
Molecular Weight 243.262
Flash Point 187.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Quinolinepyruvicacid, ethyl ester (6CI,7CI,8CI);
PSA 56.26000
LogP 1.90950

2-Quinolinepropanoicacid, a-oxo-, ethyl ester Specification

The 2-Quinolinepropanoicacid, a-oxo-, ethyl ester, with CAS registry number 13119-76-1, has the systematic name of ethyl 2-oxo-3-(quinolin-2-yl)propanoate. Besides this, it is also called 2-Oxo-3-quinolin-2-yl-propionic acid ethyl ester. And the chemical formula of this chemical is C₁₄H₁₃NO₃.

Physical properties of 2-Quinolinepropanoicacid, a-oxo-, ethyl ester: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.23; (6)ACD/BCF (pH 7.4): 11.34; (7)ACD/KOC (pH 5.5): 195.99; (8)ACD/KOC (pH 7.4): 197.95; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.26 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 67.43 cm³; (15)Molar Volume: 199.7 cm³; (16)Polarizability: 26.73×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 187.9 °C; (20)Enthalpy of Vaporization: 63.62 kJ/mol; (21)Boiling Point: 387.1 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=O)Cc1nc2ccccc2cc1
(2)InChI: InChI=1/C14H13NO3/c1-2-18-14(17)13(16)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-8H,2,9H2,1H3
(3)InChIKey: ORRFCFGNBCDGIS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-8H,2,9H2,1H3
(5)Std. InChIKey: ORRFCFGNBCDGIS-UHFFFAOYSA-N

Product Name

2-OXO-3-QUINOLIN-2-YL-PROPIONIC ACID ETHYL ESTER

2-Quinolinepropanoicacid, a-oxo-, ethyl ester Specification

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