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173740-87-9 | Hexanoic acid, 6-[(1-oxodecyl)amino]-, sulfophenyl ester
CAS No: 173740-87-9 Catalog No: AG001Z5C MDL No:
Product Description
Catalog Number:
AG001Z5C
Chemical Name:
Hexanoic acid, 6-[(1-oxodecyl)amino]-, sulfophenyl ester
CAS Number:
173740-87-9
Molecular Formula:
C22H35NO6S
Molecular Weight:
441.5814
IUPAC Name:
2-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid
InChI:
InChI=1S/C22H35NO6S/c1-2-3-4-5-6-7-9-16-21(24)23-18-13-8-10-17-22(25)29-19-14-11-12-15-20(19)30(26,27)28/h11-12,14-15H,2-10,13,16-18H2,1H3,(H,23,24)(H,26,27,28)
InChI Key:
GOKVKLCCWGRQJV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)NCCCCCC(=O)Oc1ccccc1S(=O)(=O)O
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.219g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.583g/mol
Monoisotopic Mass:
441.219g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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