Home Other Building Blocks 2-(4-phenyl-1,3-thiazol-5-yl)acetic acid

2-(4-phenyl-1,3-thiazol-5-yl)acetic acid

CAS No.:
859482-70-5
Catalog Number:
AG01AUXX
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG01AUXX
Chemical Name:
2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CAS Number:
859482-70-5
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD11937171
IUPAC Name:
2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
InChI:
InChI=1S/C11H9NO2S/c13-10(14)6-9-11(12-7-15-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
JSYNROPGKZVGRJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1scnc1c1ccccc1
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  
Properties