5-(2-PHENYLETH-1-YNYL)-2-FUROIC ACID

The 2-Furancarboxylic acid,5-(2-phenylethynyl)-, with CAS registry number 130423-83-5, belongs to the following product categories: (1)Carboxylic Acids; (2)Furans, Benzofurans & Dihydrobenzofurans. It has the systematic name of 5-(phenylethynyl)furan-2-carboxylic acid. And the chemical formula of this chemical is C₁₃H₈O₃.

Physical properties of 2-Furancarboxylic acid,5-(2-phenylethynyl)-: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 57.49 cm³; (15)Molar Volume: 159.3 cm³; (16)Polarizability: 22.79×10^-24cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 69.95 kJ/mol; (21)Boiling Point: 411 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Furancarboxylic acid,5-(2-phenylethynyl)- 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(O)c2oc(C#Cc1ccccc1)cc2
(2)InChI: InChI=1/C13H8O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
(3)InChIKey: HFYACYZCOUYIFR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H8O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
(5)Std. InChIKey: HFYACYZCOUYIFR-UHFFFAOYSA-N