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132607-29-5 | 3-Pentanone,2-(2-benzothiazolyl)-(9CI)
CAS No: 132607-29-5 Catalog No: AG00A87I MDL No:
Product Description
Catalog Number:
AG00A87I
Chemical Name:
3-Pentanone,2-(2-benzothiazolyl)-(9CI)
CAS Number:
132607-29-5
IUPAC Name:
2-(1,3-benzothiazol-2-yl)pentan-3-one
InChI:
InChI=1S/C12H13NOS/c1-3-10(14)8(2)12-13-9-6-4-5-7-11(9)15-12/h4-8H,3H2,1-2H3
InChI Key:
GPIBEVPMVKPRLR-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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