The Hippuric acid, with the CAS registry number 495-69-2, is also known as Glycine,N-benzoyl-. It belongs to the product categories of Intermediates of Dyes and Pigments; Aromatic Cinnamic Acids, Esters and Derivatives; Aromatics. Its EINECS number is 207-806-3. This chemical's molecular formula is C₉H₉NO₃ and molecular weight is 179.17. What's more, its systematic name is N-Benzoylglycine. Its classification code is Drug / Therapeutic Agent. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from heat, light and moisture. It is a carboxylic acid found in the urine of horses and other herbivores. It is synthesized in the liver and its production is greatly increased following consuption of benzoic acid. It is used in organic synthesis, and it is also used as medicine and dye intermediates.

Physical properties of Hippuric acid are: (1)ACD/LogP: 0.757; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.4 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 46.073 cm³; (15)Molar Volume: 140.912 cm³; (16)Polarizability: 18.265×10^-24cm³; (17)Surface Tension: 54.005 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 234.495 °C; (20)Enthalpy of Vaporization: 76.438 kJ/mol; (21)Boiling Point: 464.125 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by sbenzoyl chloride and glycine by heating. This reaction will need reagents Na₂CO₃, dodecyltrimethylammonium bromide and solvent tetrahydrofuran. The yield is about 90%.

Uses of Hippuric acid: it can be used to produce N-benzoyl-glycine methyl ester at the temperature of 130 °C. It will need reagent cupric chloride hydrate with the reaction time of 24 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(=O)NCC(=O)O
(2)Std. InChI: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
(3)Std. InChIKey: QIAFMBKCNZACKA-UHFFFAOYSA-N

The toxicity data is as follows: