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Ethylene Terephthalate Linear Trimer

CAT: 0572-TRC-E917714-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E917714-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16033-73-1
Synonyms
Terephthalic Acid Ester with Ethylene Glycol; Bis(2-hydroxyethyl) O,O'-((terephthaloylbis(oxy))bis(ethane-2,1-diyl)) Diterephthalate; Ethylene Glycol Terephthalate (4:3); Terephthalic Acid 2-Hydroxyethyl Ester Trimol Ester 2-Hydroxyethyl Ester;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(OCCO)C1=CC=C(C(OCCOC(C2=CC=C(C(OCCOC(C3=CC=C(C(OCCO)=O)C=C3)=O)=O)C=C2)=O)=O)C=C1
Molecular Formula
C32H30O14
Molecular Weight
638.57
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethylene Terephthalate Linear Trimer
CAS Number16033-73-1
PubChem CID168244548
IUPAC Name4-O-[2-[4-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxycarbonyl]benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Molecular FormulaC32H30O14
Molecular Weight638.6
XLogP3.1
Topological Polar Surface Area198
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count46
Formal Charge0
Complexity924
SMILES
C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCO
InChI
InChI=1S/C32H30O14/c33-13-15-41-27(35)21-1-5-23(6-2-21)29(37)43-17-19-45-31(39)25-9-11-26(12-10-25)32(40)46-20-18-44-30(38)24-7-3-22(4-8-24)28(36)42-16-14-34/h1-12,33-34H,13-20H2
InChIKey
BDKHZINHSZZFHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylene Terephthalate Linear Trimer
CAS: 16033-73-1
CID: 168244548
Formula: C32H30O14
MW: 638.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass638.16355563
Monoisotopic Mass638.16355563
Topological Polar Surface Area198 Ų
Heavy Atom Count46
Formal Charge0
Complexity924
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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