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83747-22-2 | 5-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PENTANOIC ACID
CAS No: 83747-22-2 Catalog No: AG01AR6B MDL No:MFCD08684948
Product Description
Catalog Number:
AG01AR6B
Chemical Name:
5-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PENTANOIC ACID
CAS Number:
83747-22-2
MDL Number:
MFCD08684948
IUPAC Name:
5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid
InChI:
InChI=1S/C12H13NO5S/c14-11(15)7-3-4-8-13-12(16)9-5-1-2-6-10(9)19(13,17)18/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChI Key:
GPGHRDSNAKAXQP-UHFFFAOYSA-N
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.298g/mol
Monoisotopic Mass:
283.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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