POLYETHYLENETEREPHTHALATE MODIFIED WITH AZELAIC ACID AND DIETHYLENE GLYCOL

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID501014936

Structure

InChI Key OMANQXKGUWJXTD-JBJBFBLISA-N
Smiles [H][C@]12N(CCC[C@]11CC[C@@]3(N(C(=O)OC)C4=CC=CC=C4[C@]23CC(=O)C1)C(=O)OC)C=O
InChI
InChI=1S/C23H26N2O6/c1-30-19(28)23-10-9-21-8-5-11-24(14-26)18(21)22(23,13-15(27)12-21)16-6-3-4-7-17(16)25(23)20(29)31-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,21+,22+,23+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26N2O6
Molecular Weight 426.18
AlogP 2.19
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 93.22
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 888482-17-5
NORMAN SUSDAT
PubChem 91885229
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