Cas no 88469-71-0 (5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-)
88469-71-0 structure
Product Name:5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-
CAS No:88469-71-0
MF:C13H11NO4S
MW:277.295742273331
CID:631530
PubChem ID:13114377
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-
- 4-(acetyloxymethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
- 88469-71-0
- DTXSID40518997
- 4-[(Acetyloxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
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- Inchi: 1S/C13H11NO4S/c1-8(15)18-7-10-11(13(16)17)19-12(14-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)
- InChI Key: YYMZLWNKUKGLEY-UHFFFAOYSA-N
- SMILES: S1C(C(=O)O)=C(COC(C)=O)N=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 277.04087901g/mol
- Monoisotopic Mass: 277.04087901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 344
- 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: 2.2
- Topological Polar Surface Area: 105?2
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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