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127044-62-6 | 8-ACETOXY-N,N,N',N',N'',N''-HEXAMETHYLPYRENE-1,3,6-TRISULFONAMIDE
CAS No: 127044-62-6 Catalog No: AG009BEG MDL No:
Product Description
Catalog Number:
AG009BEG
Chemical Name:
8-ACETOXY-N,N,N',N',N'',N''-HEXAMETHYLPYRENE-1,3,6-TRISULFONAMIDE
CAS Number:
127044-62-6
IUPAC Name:
[3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] acetate
InChI:
InChI=1S/C24H27N3O8S3/c1-14(28)35-19-12-20(36(29,30)25(2)3)16-10-11-18-22(38(33,34)27(6)7)13-21(37(31,32)26(4)5)17-9-8-15(19)23(16)24(17)18/h8-13H,1-7H3
InChI Key:
VQNRRBGKSXXSFH-UHFFFAOYSA-N
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.096g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
581.673g/mol
Monoisotopic Mass:
581.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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