Home Carboxys dimethoxy-1,2-thiazole-4-carboxylic acid

dimethoxy-1,2-thiazole-4-carboxylic acid

CAS No.:
2137814-13-0
Catalog Number:
AG01EKSF
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
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Product Description
Catalog Number:
AG01EKSF
Chemical Name:
dimethoxy-1,2-thiazole-4-carboxylic acid
CAS Number:
2137814-13-0
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
MDL Number:
MFCD31446542
IUPAC Name:
3,5-dimethoxy-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO4S/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChI Key:
OFJLLTAXRDUMJR-UHFFFAOYSA-N
SMILES:
COc1snc(c1C(=O)O)OC
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.185g/mol
Monoisotopic Mass:
189.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties