| CAS Number | 7441-32-9 |
| Catalog Number | AG003AR1(AGN-PC-0U58H2) |
| Chemical Name | Ethylene Terephthalate Cyclic Trimer |
| IUPAC Name | 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone |
| InChI | InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2 |
| InChI Key | IICRGUKQYYOPIG-UHFFFAOYSA-N |
| MDL Number | MFCD28138727 |
| Molecular Formula | C30H24O12 |
| Molecular Weight | 576.5044 |
| SMILES | O=C(OCCOC(C3=CC=C(C4=O)C=C3)=O)C1=CC=C(C(OCCOC(C2=CC=C(C(OCCO4)=O)C=C2)=O)=O)C=C1 |
| Synonyms | SCHEMBL3874923,
Ethylene Terephthalate Cyclic Trimer,
7441-32-9,
1,2-[Terephthaloylbis(oxyethyleneoxy)bisterephthaloylbisoxy]ethane,
IICRGUKQYYOPIG-UHFFFAOYSA-N,
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| Complexity | 767 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 576.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 576.51g/mol |
| Monoisotopic Mass | 576.127g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number