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80689-20-9 | 2(3H)-Benzothiazolone,5,6-dimethyl-(9CI)
CAS No: 80689-20-9 Catalog No: AG00GQRR MDL No:
Product Description
Catalog Number:
AG00GQRR
Chemical Name:
2(3H)-Benzothiazolone,5,6-dimethyl-(9CI)
CAS Number:
80689-20-9
IUPAC Name:
5,6-dimethyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NOS/c1-5-3-7-8(4-6(5)2)12-9(11)10-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
NXFZVNGILJWVEL-UHFFFAOYSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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