2H-Isoindole-2-propanal,1,3-dihydro-1,3-dioxo- (2436-29-5)

The 3-Phthalimidopropionaldehyde with the cas number 2436-29-5 is also called 2H-Isoindole-2-propanal,1,3-dihydro-1,3-dioxo-. The IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propanal. Its molecular formula is C₁₁H₉NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.19; (8)ACD/KOC (pH 7.4): 154.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 51.78 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 54.4 dyne/cm; (18)Enthalpy of Vaporization: 59.75 kJ/mol; (19)Vapour Pressure: 3.77×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCC=O
(2)InChI: InChI=1/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
(3)InChIKey: IBSDSIHTMABATG-UHFFFAOYAL

The toxicity data is as follows: