1-Cyclohexene-1-carboxylic acid

The 1-Cyclohexene-1-carboxylic acid is an organic compound with the formula C₇H₁₀O₂. The systematic name of this chemical is cyclohex-1-ene-1-carboxylic acid. With the CAS registry number 636-82-8, it is also named as 1-Cyclohexenecarboxylic Acid. The product's categories are C7; Carbonyl Compounds; Carboxylic Acids. Besides, it is a white to light yellow low melting crystalline, which should be stored in a closed cool and dry place. It is used as a pharmaceutical intermediate.

Physical properties about 1-Cyclohexene-1-carboxylic acid are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): -0.46; (4)ACD/BCF (pH 5.5): 4.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 64; (7)ACD/KOC (pH 7.4): 1.1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 33.37 cm³; (14)Molar Volume: 109.9 cm³; (15)Polarizability: 13.23×10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.146 g/cm³; (18)Flash Point: 111 °C; (19)Enthalpy of Vaporization: 53 kJ/mol; (20)Boiling Point: 244.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0101 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohex-1-enecarbonitrile. This reaction will need reagent aqueous sulfuric acid.

Uses of 1-Cyclohexene-1-carboxylic acid: it can be used to produce 5-methoxy-8-methyl-1,2,3,4,4a,9a-hexahydro-fluoren-9-one. It will need reagent polyphosphoric acid (PPA) with reaction time of 3 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Please take off immediately all contaminated clothing. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C1=C\CCCC1
(2)InChI: InChI=1/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)
(3)InChIKey: NMEZJSDUZQOPFE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)
(5)Std. InChIKey: NMEZJSDUZQOPFE-UHFFFAOYSA-N