Benzoic acid,2-(2-carboxyethenyl)-

The Benzoic acid,2-(2-carboxyethenyl)-, with the CAS registry number 612-40-8, is also known as 2-Carboxycinnamic acid. It belongs to the product categories of Aromatic Cinnamic Acids, Esters and Derivatives. Its EINECS registry number is 210-308-9. This chemical's molecular formula is C₁₀H₈O₄ and molecular weight is 192.17. What's more, its systematic name is called 2-[(E)-2-Carboxyethenyl]benzoic acid.

Physical properties about Benzoic acid,2-(2-carboxyethenyl)- are: (1)ACD/LogP: 2.09; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.657; (12)Molar Refractivity: 50.63 cm³; (13)Molar Volume: 137.5 cm³; (14)Polarizability: 20.07×10^-24 cm³; (15)Surface Tension: 67.3 dyne/cm; (16)Density: 1.396 g/cm³; (17)Flash Point: 219.9 °C; (18)Enthalpy of Vaporization: 70.63 kJ/mol; (19)Boiling Point: 416.7 °C at 760 mmHg; (20)Vapour Pressure: 1.09E-07 mmHg at 25 °C; (21)Melting Point: 197-202 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccccc1\C=C\C(=O)O
(2) InChI: InChI=1/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
(3) InChIKey: SCWPNMHQRGNQHH-AATRIKPKBW