Home Carboxys 2-(1-methoxyethyl)-1,3-thiazole-4-carboxylic acid

2-(1-methoxyethyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
955400-89-2
Catalog Number:
AG019YD8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
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Product Description
Catalog Number:
AG019YD8
Chemical Name:
2-(1-methoxyethyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
955400-89-2
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD21873189
IUPAC Name:
2-(1-methoxyethyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO3S/c1-4(11-2)6-8-5(3-12-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChI Key:
PWLBVWDXWWBOAW-UHFFFAOYSA-N
SMILES:
CC(c1nc(cs1)C(=O)O)OC
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties