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120821-99-0 | 1-Butanone,1-(2-benzothiazolyl)-4-hydroxy-(9CI)
CAS No: 120821-99-0 Catalog No: AG009MDZ MDL No:
Product Description
Catalog Number:
AG009MDZ
Chemical Name:
1-Butanone,1-(2-benzothiazolyl)-4-hydroxy-(9CI)
CAS Number:
120821-99-0
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-4-hydroxybutan-1-one
InChI:
InChI=1S/C11H11NO2S/c13-7-3-5-9(14)11-12-8-4-1-2-6-10(8)15-11/h1-2,4,6,13H,3,5,7H2
InChI Key:
JBHZHHKYAASTCE-UHFFFAOYSA-N
NSC Number:
606999
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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