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64404-51-9 | 5,7-dimethoxy-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
CAS No: 64404-51-9 Catalog No: AG01A5DD MDL No:MFCD24369284
Product Description
Catalog Number:
AG01A5DD
Chemical Name:
5,7-dimethoxy-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
CAS Number:
64404-51-9
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
MDL Number:
MFCD24369284
IUPAC Name:
5,7-dimethoxy-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C9H9NO5S/c1-14-5-3-6-8(7(4-5)15-2)16(12,13)10-9(6)11/h3-4H,1-2H3,(H,10,11)
InChI Key:
RMIMOFZZDXCGRA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)NS2(=O)=O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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