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1075237-67-0 | (S)-(4,9-dioxo-1,2,4,5,6,9-hexahydroimidazo[1,2,3-ij][1,8]naphthyridin-1-yl)methyl methanesulfonate
CAS No: 1075237-67-0 Catalog No: AG0091EJ MDL No:
Product Description
Catalog Number:
AG0091EJ
Chemical Name:
(S)-(4,9-dioxo-1,2,4,5,6,9-hexahydroimidazo[1,2,3-ij][1,8]naphthyridin-1-yl)methyl methanesulfonate
CAS Number:
1075237-67-0
IUPAC Name:
[(2S)-5,11-dioxo-1,4-diazatricyclo[6.3.1.04,12]dodeca-8(12),9-dien-2-yl]methyl methanesulfonate
InChI:
InChI=1S/C12H14N2O5S/c1-20(17,18)19-7-9-6-13-10(15)4-2-8-3-5-11(16)14(9)12(8)13/h3,5,9H,2,4,6-7H2,1H3/t9-/m0/s1
InChI Key:
BVMHSCUIGQFLMP-VIFPVBQESA-N
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.313g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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