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Ethylene Terephthalate Cyclic Hexamer

CAT: 0572-TRC-E918180-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E918180-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29644-29-9
Synonyms
3,6,13,16,23,26,33,36,43,46,53,56-Dodecaoxaheptacyclo[56.2.2.28,11.218,21.228,31.238,41.248,51]doheptaconta-8,10,18,20,28,30,38,40,48,50,58,60,61,63,65,67,69,71-octadecaene-2,7,12,17,22,27,32,37,42,47,52,57-dodecone (9CI); Ethylene glycol, hexamol. cyclic
Hazard Statement
No Data Available
Smiles
O=C1OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c3ccc(cc3)C(=O)OCCOC(=O)c4ccc(cc4)C(=O)OCCOC(=O)c5ccc(cc5)C(=O)OCCOC(=O)c6ccc(cc6)C(=O)OCCOC(=O)c7ccc1cc7
Molecular Formula
C60 H48 O24
Molecular Weight
1153.009
InChI
InChI=1S/C60H48O24/c61-49-37-1-2-38(4-3-37)50(62)74-27-28-76-52(64)40-9-11-42(12-10-40)54(66)78-31-32-80-56(68)44-17-19-46(20-18-44)58(70)82-35-36-84-60(72)48-23-21-47(22-24-48)59(71)83-34-33-81-57(69)45-15-13-43(14-16-45)55(67)79-30-29-77-53(65)41-7-5-39
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethylene Terephthalate Cyclic Hexamer
CAS Number29644-29-9
PubChem CID102517712
IUPAC Name3,6,13,16,23,26,33,36,43,46,53,56-dodecaoxaheptacyclo[56.2.2.28,11.218,21.228,31.238,41.248,51]doheptaconta-1(61),8,10,18,20,28,30,38(66),39,41(65),48(64),49,51(63),58(62),59,67,69,71-octadecaene-2,7,12,17,22,27,32,37,42,47,52,57-dodecone
Molecular FormulaC60H48O24
Molecular Weight1153.0
XLogP8.4
Topological Polar Surface Area316
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count24
Rotatable Bond Count0
Heavy Atom Count84
Formal Charge0
Complexity1690
SMILES
C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)OCCOC(=O)C5=CC=C(C=C5)C(=O)OCCOC(=O)C6=CC=C(C=C6)C(=O)OCCOC(=O)C7=CC=C(C=C7)C(=O)O1
InChI
InChI=1S/C60H48O24/c61-49-37-1-2-38(4-3-37)50(62)74-27-28-76-52(64)40-9-11-42(12-10-40)54(66)78-31-32-80-56(68)44-17-19-46(20-18-44)58(70)82-35-36-84-60(72)48-23-21-47(22-24-48)59(71)83-34-33-81-57(69)45-15-13-43(14-16-45)55(67)79-30-29-77-53(65)41-7-5-39(6-8-41)51(63)75-26-25-73-49/h1-24H,25-36H2
InChIKey
LIXRDKDLRMBFRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylene Terephthalate Cyclic Hexamer
CAS: 29644-29-9
CID: 102517712
Formula: C60H48O24
MW: 1153.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1153.0
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count24
Rotatable Bond Count0
Exact Mass1152.25355239
Monoisotopic Mass1152.25355239
Topological Polar Surface Area316 Ų
Heavy Atom Count84
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
449778-01Ethylene Terephthalate Cyclic Hexamer
EBA64429-01Ethylene terephthalate cyclic hexamer-d24
HAA44132-01Ethylene Terephthalate Cyclic Trimer
sc-505911BEthylene Terephthalate Cyclic Dimer
449782-01Ethylene Terephthalate Cyclic Tetramer
449776-01Ethylene Terephthalate Cyclic Heptamer
449780-01Ethylene Terephthalate Cyclic Pentamer
ZAA38868-01Ethylene terephthalate cyclic dimer-d8
RAA10496-01Ethylene terephthalate cyclic tetramer-d16
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