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

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

CAS No.:
1516807-24-1
Catalog Number:
AG01C0K6
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
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Product Description
Catalog Number:
AG01C0K6
Chemical Name:
2-(methoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1516807-24-1
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
MDL Number:
MFCD30749934
IUPAC Name:
2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H5NO4S/c1-11-6(10)4-7-3(2-12-4)5(8)9/h2H,1H3,(H,8,9)
InChI Key:
COKXDXWVDHGSHT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(cs1)C(=O)O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.169g/mol
Monoisotopic Mass:
186.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties