1,2-Cyclopentanedicarboxylicacid, (1R,2R)-rel- (1461-97-8)

The trans-DL-1,2-Cyclopentanedicarboxylic acid, with the CAS registry number 1461-97-8 and EINECS registry number 215-962-9, has the systematic name and IUPAC name of cyclopentane-1,2-dicarboxylic acid. It belongs to the following product categories: Carboxylic Acid Monomers; Monomers; Polymer Science. And the molecular formula of the chemical is C₇H₁₀O₄.  

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -4.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 35.27 cm³; (15)Molar Volume: 113.2 cm³; (16)Polarizability: 13.98×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 378.6 °C at 760 mmHg; (22)Vapour Pressure: 8.88E-07 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCCC1C(=O)O
(2)InChI: InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
(3)InChIKey: ASJCSAKCMTWGAH-UHFFFAOYAK