Home Carboxys 1,1,3-trioxo-2-(propan-2-yl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

1,1,3-trioxo-2-(propan-2-yl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

CAS No.:
1082279-37-5
Catalog Number:
AG019VVY
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
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Product Description
Catalog Number:
AG019VVY
Chemical Name:
1,1,3-trioxo-2-(propan-2-yl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
CAS Number:
1082279-37-5
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
MDL Number:
MFCD10689376
IUPAC Name:
1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C11H11NO5S/c1-6(2)12-10(13)8-4-3-7(11(14)15)5-9(8)18(12,16)17/h3-6H,1-2H3,(H,14,15)
InChI Key:
RSRMBVAPXVTDPW-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(S1(=O)=O)cc(cc2)C(=O)O)C
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties