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68475-71-8

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Basic Information
CAS No.: 68475-71-8
Name: acetic acid
Molecular Structure:
Molecular Structure of 68475-71-8 (acetic acid)
Formula: C2H4O2
Molecular Weight: 0
Synonyms: Acetic acid, propionic acid distillate;
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  • Carboxylic acids, C2-3

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    68475-71-8

    Carboxylic acids, C2-3

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  • Carboxylic acids, C2-3

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    Carboxylic acids, C2-3

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Specification

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