Home Carboxys 2-cyclopropyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

2-cyclopropyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

CAS No.:
1082558-21-1
Catalog Number:
AG019VVM
Molecular Formula:
C11H9NO5S
Molecular Weight:
267.2579
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Product Description
Catalog Number:
AG019VVM
Chemical Name:
2-cyclopropyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
CAS Number:
1082558-21-1
Molecular Formula:
C11H9NO5S
Molecular Weight:
267.2579
MDL Number:
MFCD10690738
IUPAC Name:
2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C11H9NO5S/c13-10-8-4-1-6(11(14)15)5-9(8)18(16,17)12(10)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)
InChI Key:
HCWXRWFYAUPEBF-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)N1C1CC1)C(=O)O
Properties
Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.02g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.255g/mol
Monoisotopic Mass:
267.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties