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Ethylene Terephthalate Cyclic Trimer

CAT: 0024-sc-497588ASize: 5 mgDry Ice: NoHazardous: No
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CAS Number
7441-32-9

Chemical Information

Ethylene Terephthalate Cyclic Trimer

Ethylene Terephthalate Cyclic Trimer has been reported in Streptomyces with data available.

CAS Number7441-32-9
PubChem CID15089684
IUPAC Name3,6,13,16,23,26-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
Molecular FormulaC30H24O12
Molecular Weight576.5
XLogP4.2
Topological Polar Surface Area158
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Heavy Atom Count42
Formal Charge0
Complexity767
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)O1
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
InChIKey
IICRGUKQYYOPIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylene Terephthalate Cyclic Trimer
CAS: 7441-32-9
CID: 15089684
Formula: C30H24O12
MW: 576.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Exact Mass576.12677620
Monoisotopic Mass576.12677620
Topological Polar Surface Area158 Ų
Heavy Atom Count42
Formal Charge0
Complexity767
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

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