2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-5-oxo- (3470-46-0)

 The 5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, with the CAS registry number 3470-46-0, is also called 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-5-oxo-. It belongs to the product category of Benzocycles. And the molecular formula of the chemical is C₁₁H₁₀O₃.

The characteristics of 5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid are as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.07; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 50.09 cm³; (14)Molar Volume: 145.2 cm³; (15)Polarizability: 19.86×10^-24cm³; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.309 g/cm³; (18)Flash Point: 211 °C; (19)Enthalpy of Vaporization: 68.85 kJ/mol; (20)Boiling Point: 401.8 °C at 760 mmHg; (21)Vapour Pressure: 3.53E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc2C(=O)CCCc2c1
(2)InChI: InChI=1/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6H,1-3H2,(H,13,14)
(3)InChIKey: QSQVJZPPZDEILK-UHFFFAOYAR