Carboxylic acids, C2-3 (68475-71-8)

The IUPAC name of Carboxylic acids, C2-3 is acetic acid. With the CAS registry number 68475-71-8, it is also named as Acetic acid, propionic acid distillate. The classification code is TSCA UVCB. In addition, the formula is C₂H₄O₂ and molecular weight is 60.06.

The other characteristics of Carboxylic acids, C2-3 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): 2.61; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0 ; (9)Index of Refraction: 1.376; (10)Molar Refractivity: 12.879 cm³; (11)Molar Volume: 56.175 cm³; (12)Polarizability: 5.106×10^-24 cm³; (13)Surface Tension: 31.917 dyne/cm ; (14)Flash Point: 40 °C; (15)Enthalpy of Vaporization: 23.7 kJ/mol; (16)Boiling Point: 117.065 °C at 760 mmHg; (17)Vapour Pressure: 13.874 mmHg at 25°C; (18)Exact Mass: 60.021129; (19)MonoIsotopic Mass: 60.021129; (20)Topological Polar Surface Area: 37.3; (21)Heavy Atom Count: 4; (22)Complexity: 31.

People can use the following data to convert to the molecule structure.
1. SMILES:CC(=O)O
2. InChI:InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4) 
3. InChIKey:QTBSBXVTEAMEQO-UHFFFAOYAR
4. Std. InChI:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
5. Std. InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N