3-Methoxycyclobutanecarboxylic acid (480450-03-1)

With the CAS registry number 480450-03-1, the systematic name of 3-Methoxycyclobutanecarboxylic acid is 3-Methoxycyclobutanecarboxylic acid. In addition, its molecular formula is C₆H₁₀O₃ and its molecular weight is 130.14. 

The other characteristics of 3-Methoxycyclobutanecarboxylic acid can be summarized as: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.66; (5)ACD/KOC (pH 7.4): 1; (6)H bond acceptors: 3; (7)H bond donors: 1; (8)Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.53 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 31.12 cm³; (12)Molar Volume: 111.4 cm³; (13)Polarizability: 12.33×10^-24cm³; (14)Surface Tension: 39.3 dyne/cm; (15)Density: 1.16 g/cm³; (16)Flash Point: 96.6 °C; (17)Enthalpy of Vaporization: 51.42 kJ/mol; (18)Boiling Point: 230.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0237 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)C1CC(OC)C1
(2)InChI:InChI=1/C6H10O3/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
(3)InChIKey:PRADZEMZRCCINO-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C6H10O3/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
(5)Std. InChIKey:PRADZEMZRCCINO-UHFFFAOYSA-N