3-Phenyl-1H-pyrazole-4-carboxylic acid

This chemical's CAS registry number is 5504-65-4 and it also known as 5-Phenyl-1H-pyrazole-4-carboxylic acid. It belongs to the product categories of Carboxylic Acids; Pyrazoles & Triazoles; Heterocyclic Compounds; Carboxylic Acids; Pyrazoles & Triazoles; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.1827. What's more, its systematic name is called 3-Phenyl-1H-pyrazole-4-carboxylic acid.

Physical properties about 3-Phenyl-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 1.84; (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): 2.067; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 50.299 cm³; (13)Molar Volume: 138.794 cm³; (14)Polarizability: 19.94×10^-24 cm³; (15)Surface Tension: 66.611 dyne/cm; (16)Density: 1.356 g/cm³; (17)Flash Point: 213.843 °C; (18)Enthalpy of Vaporization: 72.245 kJ/mol; (19)Boiling Point: 429.978 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C; (21)Melting Point: 278 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes. Make sure do not breathe dust.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)c2c(c[nH]n2)C(=O)O
(2) InChI: InChI=1/C10H8N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
(3) InChIKey: LGTJKUYVFSBOMC-UHFFFAOYAN