Home Carboxys 1,1,3-trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

1,1,3-trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

CAS No.:
1040074-58-5
Catalog Number:
AG019W7C
Molecular Formula:
C13H13NO6S
Molecular Weight:
311.3104
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Product Description
Catalog Number:
AG019W7C
Chemical Name:
1,1,3-trioxo-2-(oxolan-2-ylmethyl)-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
CAS Number:
1040074-58-5
Molecular Formula:
C13H13NO6S
Molecular Weight:
311.3104
MDL Number:
MFCD11580046
IUPAC Name:
1,1,3-trioxo-2-(oxolan-2-ylmethyl)-1,2-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C13H13NO6S/c15-12-10-4-3-8(13(16)17)6-11(10)21(18,19)14(12)7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2,(H,16,17)
InChI Key:
XVBZSMNBPKYVMI-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)N1CC1CCCO1)C(=O)O
Properties
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.046g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.308g/mol
Monoisotopic Mass:
311.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties