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69190-99-4 | 5-benzoxazolesulfonamide, 2,3-dihydro-n-methyl-2-oxo-
CAS No: 69190-99-4 Catalog No: AG006BB5 MDL No:MFCD26605301
Product Description
Catalog Number:
AG006BB5
Chemical Name:
5-benzoxazolesulfonamide, 2,3-dihydro-n-methyl-2-oxo-
CAS Number:
69190-99-4
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
MDL Number:
MFCD26605301
IUPAC Name:
dipotassium;cadmium(2+);1,1-diphosphonatoethanol
InChI:
InChI=1S/C2H8O7P2.Cd.2K/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;+2;2*+1/p-4
InChI Key:
NGSOUJNIKZQTJN-UHFFFAOYSA-J
SMILES:
Cn1c(=O)oc2c1cc(cc2)S(=O)(=O)N
EC Number:
273-906-9
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.774g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.605g/mol
Monoisotopic Mass:
393.774g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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