4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone supplier

Name
4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone
EINECS
CAS No. 708273-57-8
Article Data5
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₃
Boiling Point 389.6 °C at 760 mmHg
Molecular Weight 221.256
Flash Point 189.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone;
PSA 59.42000
LogP 1.42090

4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone Specification

The cas register number of 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone is 708273-57-8. It also can be called as Cyclohexanone,4-hydroxy-4-(6-methoxy-3-pyridinyl)- and the Systematic name about this chemical is cyclohexanone, 4-hydroxy-4-(6-methoxy-3-pyridinyl)-.

Physical properties about 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone are: (1)ACD/LogP: 0.50; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.41; (5)ACD/BCF (pH 7.4): 1.42; (6)ACD/KOC (pH 5.5): 44.5; (7)ACD/KOC (pH 7.4): 44.72; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 59.42Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 58.51 cm³; (14)Molar Volume: 179.7 cm³; (15)Polarizability: 23.19x10^-24cm³; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 67.39 kJ/mol; (18)Vapour Pressure: 9.1E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cn1)C2(CCC(=O)CC2)O
(2)InChI: InChI=1/C12H15NO3/c1-16-11-3-2-9(8-13-11)12(15)6-4-10(14)5-7-12/h2-3,8,15H,4-7H2,1H3
(3)InChIKey: VQZVMRZEBPGSFQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H15NO3/c1-16-11-3-2-9(8-13-11)12(15)6-4-10(14)5-7-12/h2-3,8,15H,4-7H2,1H3
(5)Std. InChIKey: VQZVMRZEBPGSFQ-UHFFFAOYSA-N

Product Name

4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone

4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone Specification

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