5-Pyridin-2-ylcyclohexane-1,3-dione supplier

Name
5-Pyridin-2-ylcyclohexane-1,3-dione
EINECS
CAS No. 144128-79-0
Article Data2
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NO₂
Boiling Point 386.791 °C at 760 mmHg
Molecular Weight 189.213
Flash Point 190.696 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(pyridin-2-yl)cyclohexane-1,3-dione;5-(2-pyridyl)cyclohexane-1,3-dione;5-(2-pyridinyl)-1,3-cyclohexanedione;
PSA 47.03000
LogP 1.48730

5-Pyridin-2-ylcyclohexane-1,3-dione Specification

The CAS registry number of 5-Pyridin-2-ylcyclohexane-1,3-dione is 144128-79-0. The molecular formula of it is C₁₁H₁₁NO₂ and molecular weight is 189.213. Its systematic name is called 5-(pyridin-2-yl)cyclohexane-1,3-dione.

Physical properties about this chemical are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (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: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 50.467 cm³; (14)Molar Volume: 156.857 cm³; (15)Surface Tension: 50.616 dyne/cm; (16)Density: 1.206 g/cm³; (17)Flash Point: 190.696 °C; (18)Enthalpy of Vaporization: 63.577 kJ/mol; (19)Boiling Point: 386.791 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC(c1ncccc1)CC(=O)C2
(2)InChI: InChI=1/C11H11NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12-11/h1-4,8H,5-7H2
(3)InChIKey: ZCTSQHXOYMTGLP-UHFFFAOYAE

Product Name

5-Pyridin-2-ylcyclohexane-1,3-dione

5-Pyridin-2-ylcyclohexane-1,3-dione Specification

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