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Cyclohexanone,4-hydroxy-4-(6-methoxy-3-pyridinyl)- (708273-57-8)

Identification
Name:Cyclohexanone,4-hydroxy-4-(6-methoxy-3-pyridinyl)-
Synonyms:4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone;
CAS:708273-57-8
Molecular Formula: C12H15NO3
Molecular Weight: 221.25
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
Molecular Structure: (C12H15NO3) 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone;
Properties
Density:1.230
Refractive index:1.564
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

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