5-Acenaphthylenecarboxylicacid (4488-43-1)

The 5-Acenaphthylenecarboxylic acid, with CAS registry number 4488-43-1, has the systematic name of acenaphthylene-5-carboxylic acid. Besides this, it is also called 5-acenaphthylenecarboxylic acid. And the chemical formula of this chemical is C₁₃H₈O₂.

Physical properties of 5-Acenaphthylenecarboxylic acid: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 58.192 cm³; (15)Molar Volume: 140.725 cm³; (16)Polarizability: 23.069×10^-24cm³; (17)Surface Tension: 72.612 dyne/cm; (18)Enthalpy of Vaporization: 71.315 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc3\C=C/c2cccc1c23
(2)InChI: InChI=1/C13H8O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H,14,15)
(3)InChIKey: CZVILAASJKYMAM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H8O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H,14,15)
(5)Std. InChIKey: CZVILAASJKYMAM-UHFFFAOYSA-N