3'-Hydroxybiphenyl-4-carbonitrile

This chemical's CAS registry number is 486455-27-0 and it also known as 4-(3-Hydroxyphenyl)benzonitrile. This chemical's molecular formula is C₁₃H₉NO and molecular weight is 195.2167. What's more, its systematic name is called 3'-Hydroxybiphenyl-4-carbonitrile.

Physical properties about 3'-Hydroxybiphenyl-4-carbonitrile are: (1)ACD/LogP: 2.55; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.02 Å²; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 57.55 cm³; (9)Molar Volume: 157.3 cm³; (10)Polarizability: 22.81×10^-24 cm³; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.24 g/cm³; (13)Flash Point: 200.6 °C; (14)Enthalpy of Vaporization: 68.57 kJ/mol; (15)Boiling Point: 408 °C at 760 mmHg; (16)Vapour Pressure: 3.06E-07 mmHg at 25 °C; (17)Melting Point: 160-164 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation or in contact with skin. It is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. It have the risk of serious damage to eyes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. Make sure not release this chemical to the environment. Refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1)c2cc(O)ccc2
(2) InChI: InChI=1/C13H9NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8,15H
(3) InChIKey: LYCMNMIPSJWQRL-UHFFFAOYAP