Acetoacetic acid allyl ester (1118-84-9)

The Allyl acetoacetate, with the CAS registry number 1118-84-9, has the systematic name of prop-2-en-1-yl 3-oxobutanoate. It belongs to the following product categories: Allyl Monomers; Monomers; Polymer Science. It is a kind of clear colorless to slightly yellow liquid and the molecular formula of the chemical is C₇H₁₀O₃.
 
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.83; (6)ACD/BCF (pH 7.4): 3.83; (7)ACD/KOC (pH 5.5): 91.06; (8)ACD/KOC (pH 7.4): 90.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 36 cm³; (15)Molar Volume: 139.7 cm³; (16)Polarizability: 14.27×10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 75.6 °C; (20)Enthalpy of Vaporization: 42.82 kJ/mol; (21)Boiling Point: 192 °C at 760 mmHg; (22)Vapour Pressure: 0.501 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Harmful if swallowed; (2)Toxic in contact with skin; (3)Irritating to the skin; (4)Wear suitable protective clothing, gloves and eye/face protection; (5)After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); (6)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(CC(=O)OC\C=C)C
(2)InChI: InChI=1/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
(3)InChIKey: AXLMPTNTPOWPLT-UHFFFAOYAN