Cas no 400776-21-8 (2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid)
400776-21-8 structure
Product Name:2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid
CAS No:400776-21-8
MF:C12H11NO4S
MW:265.285042047501
CID:2120767
PubChem ID:18771815
Update Time:2025-04-21
2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid
- 400776-21-8
- SCHEMBL5345430
- DA-06154
-
- Inchi： 1S/C12H11NO4S/c1-16-8-2-4-9(5-3-8)17-6-11-13-10(7-18-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
- InChI Key： GQWGAAZJAUFDBY-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)O)N=C1COC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 265.04087901Da
- Monoisotopic Mass: 265.04087901Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 281
- 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: 2.3
- Topological Polar Surface Area: 96.9?2
2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
400776-21-8 (2-((4-methoxyphenoxy)methyl)thiazole-4-carboxylic acid) Related Products
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