BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID

The Norbornane-2-carboxylic acid with the CAS number 824-62-4 is also called 2-Norcamphanecarboxylic acid (4CI). Both the systematic name and IUPAC name are Bicyclo[2.2.1]heptane-2-carboxylicacid. Its molecular formula is C₈H₁₂O₂. The EINECS registry number is 212-532-2.

The properties of the Norbornane-2-carboxylic acid are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.91; (5)ACD/BCF (pH 5.5): 1.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 36.44 cm³; (15)Molar Volume: 117.4 cm³; (16)Polarizability: 14.44×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 53.41 kJ/mol; (19)Vapour Pressure: 0.00807 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-norbornanecarbonitrile. This reaction needs hydrolysis. The yield is 74%.

Uses: This chemical can prepare 2-Bromonorbornane-1-carboxylic acid. This reaction needs reagent bromine, phosphorus trichloride. The yield is 30%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should 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)C1CC2CCC1C2
(2)InChI: InChI=1/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)
(3)InChIKey: JESWDXIHOJGWBP-UHFFFAOYAM