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6639-65-2 | ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanoate
CAS No: 6639-65-2 Catalog No: AG006M9L MDL No:
Product Description
Catalog Number:
AG006M9L
Chemical Name:
ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanoate
CAS Number:
6639-65-2
Molecular Formula:
C13H15NO5S
Molecular Weight:
297.3269
IUPAC Name:
ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate
InChI:
InChI=1S/C13H15NO5S/c1-3-10(13(16)19-4-2)14-12(15)9-7-5-6-8-11(9)20(14,17)18/h5-8,10H,3-4H2,1-2H3
InChI Key:
UGQXGMDMWICQEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N1C(=O)c2c(S1(=O)=O)cccc2)CC
NSC Number:
49222
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.325g/mol
Monoisotopic Mass:
297.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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