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1H-Isoindole-1,3(2H)-dione,2-(4-oxocyclohexyl)- (104618-32-8)

Identification
Name:1H-Isoindole-1,3(2H)-dione,2-(4-oxocyclohexyl)-
Synonyms:2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione;4-Phthalimidocyclohexanone;
CAS:104618-32-8
Molecular Formula: C14H13NO3
Molecular Weight: 243.26
InChI: InChI=1/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
Molecular Structure: (C14H13NO3) 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione;4-Phthalimidocyclohexanone;
Properties
Density:1.357
Refractive index:1.627
Specification:

The 4-Phthalimidocyclohexanone with its cas register number is 104618-32-8. It also can be called as 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione and the Systematic name about this chemical is 2-(4-oxocyclohexyl)-1H-isoindole-1,3(2H)-dione.

Physical properties about 4-Phthalimidocyclohexanone are: (1)ACD/LogP: 1.05; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 54.45Å2; (5)Index of Refraction: 1.627; (6)Molar Refractivity: 63.487 cm3; (7)Molar Volume: 179.184 cm3; (8)Polarizability: 25.168x10-24cm3; (9)Surface Tension: 62.197 dyne/cm; (10)Enthalpy of Vaporization: 66.222 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3CCC(N2C(=O)c1ccccc1C2=O)CC3
(2)InChI: InChI=1/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
(3)InChIKey: PWUJQPNLEZZILN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
(5)Std. InChIKey: PWUJQPNLEZZILN-UHFFFAOYSA-N

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