Home Sulfos 2-(methanesulfonylmethyl)-1,3-oxazole-4-carboxylic acid

2-(methanesulfonylmethyl)-1,3-oxazole-4-carboxylic acid

CAS No.:
1338976-77-4
Catalog Number:
AG01C5EK
Molecular Formula:
C6H7NO5S
Molecular Weight:
205.1885
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Product Description
Catalog Number:
AG01C5EK
Chemical Name:
2-(methanesulfonylmethyl)-1,3-oxazole-4-carboxylic acid
CAS Number:
1338976-77-4
Molecular Formula:
C6H7NO5S
Molecular Weight:
205.1885
MDL Number:
MFCD19632772
IUPAC Name:
2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO5S/c1-13(10,11)3-5-7-4(2-12-5)6(8)9/h2H,3H2,1H3,(H,8,9)
InChI Key:
RWIHDCNMTYYBPY-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)CS(=O)(=O)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.184g/mol
Monoisotopic Mass:
205.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties