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482333-74-4 | Saccharin 1-methylimidazole
CAS No: 482333-74-4 Catalog No: AG01ENVP MDL No:
Product Description
Catalog Number:
AG01ENVP
Chemical Name:
Saccharin 1-methylimidazole
CAS Number:
482333-74-4
Molecular Formula:
C11H11N3O3S
Molecular Weight:
265.2883
IUPAC Name:
1,1-dioxo-1,2-benzothiazol-3-one;1-methylimidazole
InChI:
InChI=1S/C7H5NO3S.C4H6N2/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-6-3-2-5-4-6/h1-4H,(H,8,9);2-4H,1H3
InChI Key:
DMSNKRPEUQVMNF-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cccc2.Cn1cncc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.287g/mol
Monoisotopic Mass:
265.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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