This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
External Descriptors
Hydroxy fatty acids
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.
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Sensibilidad
Heat sensitive
Punto de ebullición (°C)
260°C
Punto de fusión (°C)
43 °C
Peso molecular
104.100 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
104.047 Da
Monoisotopic Mass
104.047 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
69.300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Referencias
1.Yifan Wei, Xiumei Zheng, Zili Huang, Chunxiao Mou, Xiaobo Xie, Yi Lv. (2025) In-Capillary Chemoselective Tagging-Facilitated Direct nESI-MS Profiling of Carboxyl- and Carbonyl-Containing Metabolites in Urine. ANALYTICAL CHEMISTRY, [PMID:41077679][10.1021/acs.analchem.5c04351]
2.Dongqing Li, Zhaohui Chen, En Zhao, Yanmei Zheng, Lin Dong, Wenjun Zhang, Zupeng Chen. (2025) Efficient photocatalytic conversion of biomass-derived hydroxyl acids to amino acids over Ni/CdS. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:41240565][10.1016/j.jcis.2025.139400]
3.Zhiye Yan, Weiwei Tang, Bin Li. (2025) Expanding Metabolome Coverage in LC–MS/MS Analysis through Hydralazine-Based Multifunctional Derivatization. ANALYTICAL CHEMISTRY, [PMID:41277254][10.1021/acs.analchem.5c02101]
Calculadoras de soluciones
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Reseñas
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