Cas no 88469-70-9 (5-Thiazolecarboxylic acid, 4-(hydroxymethyl)-2-phenyl-)
88469-70-9 structure
Product Name:5-Thiazolecarboxylic acid, 4-(hydroxymethyl)-2-phenyl-
CAS No:88469-70-9
MF:C11H9NO3S
MW:235.259061574936
CID:631531
PubChem ID:13114376
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 4-(hydroxymethyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 4-(hydroxymethyl)-2-phenyl-
- 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
- 88469-70-9
- DTXSID80518996
-
- Inchi： 1S/C11H9NO3S/c13-6-8-9(11(14)15)16-10(12-8)7-4-2-1-3-5-7/h1-5,13H,6H2,(H,14,15)
- InChI Key： ILTJBERJOQEGLK-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(CO)N=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 235.03031432g/mol
- Monoisotopic Mass: 235.03031432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 98.7?2
5-Thiazolecarboxylic acid, 4-(hydroxymethyl)-2-phenyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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