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

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

CAS No.:
858486-04-1
Catalog Number:
AG019MUM
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG019MUM
Chemical Name:
2-(2-benzyl-1,3-thiazol-4-yl)acetic acid
CAS Number:
858486-04-1
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD10007085
IUPAC Name:
2-(2-benzyl-1,3-thiazol-4-yl)acetic acid
InChI:
InChI=1S/C12H11NO2S/c14-12(15)7-10-8-16-11(13-10)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChI Key:
UJRCHAXRBQIJNK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Cc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties