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7597-88-8 | ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)octanoate
CAS No: 7597-88-8 Catalog No: AG005SPA MDL No:
Product Description
Catalog Number:
AG005SPA
Chemical Name:
ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)octanoate
CAS Number:
7597-88-8
Molecular Formula:
C17H23NO5S
Molecular Weight:
353.4332
IUPAC Name:
ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)octanoate
InChI:
InChI=1S/C17H23NO5S/c1-3-5-6-7-11-14(17(20)23-4-2)18-16(19)13-10-8-9-12-15(13)24(18,21)22/h8-10,12,14H,3-7,11H2,1-2H3
InChI Key:
CLUFUNCIOPWNLV-UHFFFAOYSA-N
SMILES:
CCCCCCC(N1C(=O)c2c(S1(=O)=O)cccc2)C(=O)OCC
NSC Number:
55362
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.433g/mol
Monoisotopic Mass:
353.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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