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82481-70-7 | 11-(PYRENE-1-SULFONYLAMINO)UNDECANOIC ACID
CAS No: 82481-70-7 Catalog No: AG0050O3 MDL No:
Product Description
Catalog Number:
AG0050O3
Chemical Name:
11-(PYRENE-1-SULFONYLAMINO)UNDECANOIC ACID
CAS Number:
82481-70-7
Molecular Formula:
C27H31NO4S
Molecular Weight:
465.6043
IUPAC Name:
11-(pyren-1-ylsulfonylamino)undecanoic acid
InChI:
InChI=1S/C27H31NO4S/c29-25(30)12-7-5-3-1-2-4-6-8-19-28-33(31,32)24-18-16-22-14-13-20-10-9-11-21-15-17-23(24)27(22)26(20)21/h9-11,13-18,28H,1-8,12,19H2,(H,29,30)
InChI Key:
GPYFUJLNVWPRNX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCNS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.197g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.608g/mol
Monoisotopic Mass:
465.197g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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