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133044-35-6 | 2(3H)-Benzothiazolone,6-(1-oxopropyl)-(9CI)
CAS No: 133044-35-6 Catalog No: AG00AH30 MDL No:
Product Description
Catalog Number:
AG00AH30
Chemical Name:
2(3H)-Benzothiazolone,6-(1-oxopropyl)-(9CI)
CAS Number:
133044-35-6
IUPAC Name:
6-propanoyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H9NO2S/c1-2-8(12)6-3-4-7-9(5-6)14-10(13)11-7/h3-5H,2H2,1H3,(H,11,13)
InChI Key:
FNTVLJBACRTHSY-UHFFFAOYSA-N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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