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1267663-34-2 | 5-hydroxy-2-methyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione
CAS No: 1267663-34-2 Catalog No: AG01DYMS MDL No:MFCD24729907
Product Description
Catalog Number:
AG01DYMS
Chemical Name:
5-hydroxy-2-methyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione
CAS Number:
1267663-34-2
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD24729907
IUPAC Name:
2-methyl-1,1-dioxo-3H-1,2-benzothiazol-5-ol
InChI:
InChI=1S/C8H9NO3S/c1-9-5-6-4-7(10)2-3-8(6)13(9,11)12/h2-4,10H,5H2,1H3
InChI Key:
MPCARIGIKVLITL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CN(S2(=O)=O)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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