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Ethylene Terephthalate Cyclic Dimer

CAT: 0024-sc-505911BSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-505911BSize:2.5 mg
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CAS Number
24388-68-9

Chemical Information

3,6,13,16-Tetraoxatricyclo(16.2.2^28,11)tetracosa-1(20),8,10,18,21,23-hexaene-2,7,12,17-tetrone
CAS Number24388-68-9
PubChem CID91743234
IUPAC Name3,6,13,16-tetraoxatricyclo[16.2.2.28,11]tetracosa-1(21),8,10,18(22),19,23-hexaene-2,7,12,17-tetrone
Molecular FormulaC20H16O8
Molecular Weight384.3
XLogP2.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity481
SMILES
C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)O1
InChI
InChI=1S/C20H16O8/c21-17-13-1-2-14(4-3-13)18(22)26-11-12-28-20(24)16-7-5-15(6-8-16)19(23)27-10-9-25-17/h1-8H,9-12H2
InChIKey
NFFNGYZBZAPKKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6,13,16-Tetraoxatricyclo(16.2.2^28,11)tetracosa-1(20),8,10,18,21,23-hexaene-2,7,12,17-tetrone
CAS: 24388-68-9
CID: 91743234
Formula: C20H16O8
MW: 384.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass384.08451746
Monoisotopic Mass384.08451746
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity481
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
TYD-04196-01Ethylene terephthalate cyclic dimer
ZAA38868-01Ethylene terephthalate cyclic dimer-d8
HAA44132-01Ethylene Terephthalate Cyclic Trimer
449782-01Ethylene Terephthalate Cyclic Tetramer
449776-01Ethylene Terephthalate Cyclic Heptamer
TRC-E918185-10MGEthylene Terephthalate Cyclic Pentamer
449778-01Ethylene Terephthalate Cyclic Hexamer

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