ETHYL TRANS-3-ETHOXYACRYLATE, 98

The 2-Propenoic acid, 3-ethoxy-, ethyl ester, (E)-, with the CAS registry number 5941-55-9, is also known as trans-Ethyl 3-ethoxyacrylate. This chemical's molecular formula is C₇H₁₂O₃ and molecular weight is 144.1684. What's more, its systematic name is Ethyl (E)-3-ethoxyprop-2-enoate. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light.

Physical properties about 2-Propenoic acid, 3-ethoxy-, ethyl ester, (E)- are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.489; (4)ACD/LogD (pH 7.4): 1.489; (5)ACD/BCF (pH 5.5): 7.979; (6)ACD/BCF (pH 7.4): 7.979; (7)ACD/KOC (pH 5.5): 153.895; (8)ACD/KOC (pH 7.4): 153.895; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 38.057 cm³; (15)Molar Volume: 147.542 cm³; (16)Polarizability: 15.087×10^-24 cm³; (17)Surface Tension: 28.957 dyne/cm; (18)Density: 0.977 g/cm³; (19)Flash Point: 69.8 °C; (20)Enthalpy of Vaporization: 43.17 kJ/mol; (21)Boiling Point: 195.499 °C at 760 mmHg; (22)Vapour Pressure: 0.418 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CCO/C=C/C(=O)OCC
(2) InChI: InChI=1/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+
(3) InChIKey: ITQFPVUDTFABDH-AATRIKPKBR