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36874-52-9 | 1,2-Propanedione,1-(2-benzothiazolyl)-,1-oxime(9CI)
CAS No: 36874-52-9 Catalog No: AG00D2UY MDL No:
Product Description
Catalog Number:
AG00D2UY
Chemical Name:
1,2-Propanedione,1-(2-benzothiazolyl)-,1-oxime(9CI)
CAS Number:
36874-52-9
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-1-hydroxyiminopropan-2-one
InChI:
InChI=1S/C10H8N2O2S/c1-6(13)9(12-14)10-11-7-4-2-3-5-8(7)15-10/h2-5,14H,1H3
InChI Key:
IJMBKLLMBXLBLX-UHFFFAOYSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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