Home Carboxys 1,3,3-trimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1-benzothiazole-5-carboxylic acid

1,3,3-trimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1-benzothiazole-5-carboxylic acid

CAS No.:
2044796-43-0
Catalog Number:
AG01BV1V
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
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Product Description
Catalog Number:
AG01BV1V
Chemical Name:
1,3,3-trimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1-benzothiazole-5-carboxylic acid
CAS Number:
2044796-43-0
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD30476222
IUPAC Name:
1,3,3-trimethyl-2,2-dioxo-2,1-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C11H13NO4S/c1-11(2)8-6-7(10(13)14)4-5-9(8)12(3)17(11,15)16/h4-6H,1-3H3,(H,13,14)
InChI Key:
LWEUAEQGIMFHMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(C)(C)S(=O)(=O)N2C
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties