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53827-52-4 | 2(3H)-Benzothiazolone,5,6-dimethoxy-(9CI)
CAS No: 53827-52-4 Catalog No: AG00DWFT MDL No:
Product Description
Catalog Number:
AG00DWFT
Chemical Name:
2(3H)-Benzothiazolone,5,6-dimethoxy-(9CI)
CAS Number:
53827-52-4
IUPAC Name:
5,6-dimethoxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NO3S/c1-12-6-3-5-8(4-7(6)13-2)14-9(11)10-5/h3-4H,1-2H3,(H,10,11)
InChI Key:
VRUMJOKNGWXXFO-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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