2-METHYLHIPPURIC ACID

The Glycine,N-(2-methylbenzoyl)-, with the CAS registry number 42013-20-7, is also known as o-Toluric acid. Its EINECS registry number is 255-622-7. This chemical's molecular formula is C₁₀H₁₁NO₃ and molecular weight is 193.2. Its IUPAC name is called 2-[(2-methylbenzoyl)amino]acetic acid. The product should be sealed and stored in cool, dry place.

Physical properties of Glycine,N-(2-methylbenzoyl)-: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): -1.43; (3)ACD/LogD (pH 7.4): -2.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 50.89 cm³; (13)Molar Volume: 157.1 cm³; (14)Surface Tension: 50.7 dyne/cm; (15)Density: 1.229 g/cm³; (16)Flash Point: 207.3 °C; (17)Enthalpy of Vaporization: 70.94 kJ/mol; (18)Boiling Point: 419.2 °C at 760 mmHg; (19)Vapour Pressure: 8.89E-08 mmHg at 25°C.

Uses of Glycine,N-(2-methylbenzoyl)-: it can be used to produce 4-(2-methyl-benzylidene)-2-p-tolyl-4H-oxazol-5-one. This reaction will need reagent KHCO₃, acetic anhydride. The yield is about 36%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1C(=O)NCC(=O)O
(2)InChI: InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
(3)InChIKey: YOEBAVRJHRCKRE-UHFFFAOYSA-N