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16441-28-4

16441-28-4 | 4-Thiazoleacetic acid, 2-phenyl-

CAS No: 16441-28-4 Catalog No: AG001UVO MDL No:MFCD01312954

Product Description

Catalog Number:
AG001UVO
Chemical Name:
4-Thiazoleacetic acid, 2-phenyl-
CAS Number:
16441-28-4
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD01312954
IUPAC Name:
2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
InChI:
InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
LYHDWKGJPJRCTG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1ccccc1

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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