2-Butenoic acid,4-oxo-4-phenyl-, (2E)- (17812-07-6)

The trans-3-Benzoylacrylic acid with cas registry number of 17812-07-6, has the systematic name of (2E)-4-oxo-4-phenylbut-2-enoic acid. And it is also named 2-Butenoic acid, 4-oxo-4-phenyl-, (2E)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.52; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 47.16 cm³; (13)Molar Volume: 142.2 cm³; (14)Polarizability: 18.69×10^-24cm³; (15)Surface Tension: 51.5 dyne/cm; (16)Enthalpy of Vaporization: 60.89 kJ/mol; (17)Vapour Pressure: 5.23E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The trans-3-Benzoylacrylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(\C=C\C(=O)O)c1ccccc1;
(2)InChI: InChI=1/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+;
(3)InChIKey: PLPDHGOODMBBGN-VOTSOKGWBJ;
(4)Std. InChI: InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+;
(5)Std. InChIKey: PLPDHGOODMBBGN-VOTSOKGWSA-N