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115045-86-8 | 2(3H)-Benzothiazolone,5-(1-oxopropoxy)-(9CI)
CAS No: 115045-86-8 Catalog No: AG009P74 MDL No:
Product Description
Catalog Number:
AG009P74
Chemical Name:
2(3H)-Benzothiazolone,5-(1-oxopropoxy)-(9CI)
CAS Number:
115045-86-8
IUPAC Name:
(2-oxo-3H-1,3-benzothiazol-5-yl) propanoate
InChI:
InChI=1S/C10H9NO3S/c1-2-9(12)14-6-3-4-8-7(5-6)11-10(13)15-8/h3-5H,2H2,1H3,(H,11,13)
InChI Key:
ZTANQVOKMYTZCU-UHFFFAOYSA-N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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