Home Carboxys 2-benzyl-1,3-thiazole-5-carboxylic acid

2-benzyl-1,3-thiazole-5-carboxylic acid

CAS No.:
933687-22-0
Catalog Number:
AG019Z7O
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG019Z7O
Chemical Name:
2-benzyl-1,3-thiazole-5-carboxylic acid
CAS Number:
933687-22-0
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD10008832
IUPAC Name:
2-benzyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c13-11(14)9-7-12-10(15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
HJUSLPCNLXKZRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)Cc1ccccc1
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:
2.8  
Properties