Home Other Building Blocks 3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

CAS No.:
933742-78-0
Catalog Number:
AG00LTA1
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
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Product Description
Catalog Number:
AG00LTA1
Chemical Name:
3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CAS Number:
933742-78-0
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD16301361
IUPAC Name:
3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C7H9NO2S/c1-5-8-6(4-11-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
SPBAABAULWQNHB-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)CCC(=O)O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties