CYCLOHEPTYLACETIC ACID

The Cycloheptaneacetic acid, with the CAS registry number of 4401-20-1, is also known as Cycloheptylaceticacid. This chemical's molecular formula is C₉H₁₆O₂ and molecular weight is 156.22. What's more, its IUPAC name is 2-Cycloheptylacetic acid. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at 2-8 °C. Meanwhile, it should be avoided contact with light.

Physical properties about Cycloheptaneacetic acid are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 12.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 124.73; (8)ACD/KOC (pH 7.4): 1.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 43.17 cm³; (15)Molar Volume: 156.3 cm³; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 0.998 g/cm³; (18)Flash Point: 133.2 °C; (19)Enthalpy of Vaporization: 55.79 kJ/mol; (20)Boiling Point: 268.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00215 mmHg at 25 °C.

Preparation: this chemical is prepared by Diazoacetylcycloheptane. The reaction needs reagent Rh₂(OCOCH₃)₄ and solvent CH₂Cl₂. The reaction time is 5 hours. The yield is about 45 %.

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

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CCCCCC1
(2) InChI: InChI=1/C9H16O2/c10-9(11)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,10,11)
(3) InChIKey: DQNWKASPZFJVMJ-UHFFFAOYAP