2,3-Dimethylphenylacetic acid

The Benzeneacetic acid,2,3-dimethyl-, with the CAS registry number 30981-98-7, is also known as 2,3-Dimethylphenylacetic acid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₁₀H₁₂O₂ and formula weight is 164.2. What's more, its IUPAC name is 2-(2,3-dimethylphenyl)acetic acid.

Physical properties of Benzeneacetic acid,2,3-dimethyl- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 47.017 cm³; (15)Molar Volume: 149.427 cm³; (16)Surface Tension: 42.245 dyne/cm; (17)Density: 1.099 g/cm³; (18)Flash Point: 197.167 °C; (19)Enthalpy of Vaporization: 57.032 kJ/mol; (20)Boiling Point: 300.045 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(C)CCCC1CC(O)=O
(2)InChI: 1S/C10H12O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: AMPNBNGNPLXMOP-UHFFFAOYSA-N