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115045-85-7 | 2(3H)-Benzothiazolone,6-(acetyloxy)-(9CI)
CAS No: 115045-85-7 Catalog No: AG009P99 MDL No:
Product Description
Catalog Number:
AG009P99
Chemical Name:
2(3H)-Benzothiazolone,6-(acetyloxy)-(9CI)
CAS Number:
115045-85-7
IUPAC Name:
(2-oxo-3H-1,3-benzothiazol-6-yl) acetate
InChI:
InChI=1S/C9H7NO3S/c1-5(11)13-6-2-3-7-8(4-6)14-9(12)10-7/h2-4H,1H3,(H,10,12)
InChI Key:
GGPGMLPNWNZOJL-UHFFFAOYSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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