This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Soluble in water; Soluble in Acetone,Alcohol,Ether,Chloroform,Tetrahydrofuran
Sensibilidad
Heat & Light Sensitive
Índice de refracción
1.45
Punto de inflamación (°F)
213.8 °F
Punto de inflamación (°C)
101 °C
Punto de ebullición (°C)
80°C/2mmHg
Peso molecular
130.139 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
130.063 Da
Monoisotopic Mass
130.063 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
117.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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