Cas no 181294-99-5 (2-(2-AMINO-4-THIAZOLYL)-(Z)-2-(METHOXYCARBONYLMETHOXYIMINO)ACETIC ACID)
181294-99-5 structure
Product Name:2-(2-AMINO-4-THIAZOLYL)-(Z)-2-(METHOXYCARBONYLMETHOXYIMINO)ACETIC ACID
CAS No:181294-99-5
MF:C8H9N3O5S
MW:259.239160299301
CID:113639
Update Time:2024-01-24
2-(2-AMINO-4-THIAZOLYL)-(Z)-2-(METHOXYCARBONYLMETHOXYIMINO)ACETIC ACID Chemical and Physical Properties
Names and Identifiers
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- 2-(2-AMINO-4-THIAZOLYL)-(Z)-2-(METHOXYCARBONYLMETHOXYIMINO)ACETIC ACID
- 2-(2-amino-1,3-thiazol-4-yl)-2-(2-methoxy-2-oxoethoxy)iminoacetic acid
- 4-Thiazoleacetic acid,2-[(ethoxycarbonyl)amino]-a-(hydroxyimino)-
- 4-Thiazoleacetic acid, 2-[(ethoxycarbonyl)amino]-α-(hydroxyimino)-
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- Inchi： 1S/C8H9N3O5S/c1-15-5(12)2-16-11-6(7(13)14)4-3-17-8(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,13,14)/b11-6-
- InChI Key： AGFYEFQBXHONNW-WDZFZDKYSA-N
- SMILES： C(O)(=O)/C(/C1=CSC(N)=N1)=N\OCC(OC)=O
Computed Properties
- Exact Mass: 259.02637
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.9
Experimental Properties
- Density: 1.65±0.1 g/cm3(Predicted)
- PSA: 124.1
- pka: 2.47±0.10(Predicted)
2-(2-AMINO-4-THIAZOLYL)-(Z)-2-(METHOXYCARBONYLMETHOXYIMINO)ACETIC ACID Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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