| CAS Number | 2144-69-6 |
| Catalog Number | AG01CC9B(AGN-PC-0QY18Q) |
| Chemical Name | 1,2-Bis[p-(2-hydroxyethoxycarbonyl)benzoyloxy]ethane |
| IUPAC Name | 4-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate |
| InChI | InChI=1S/C22H22O10/c23-9-11-29-19(25)15-1-5-17(6-2-15)21(27)31-13-14-32-22(28)18-7-3-16(4-8-18)20(26)30-12-10-24/h1-8,23-24H,9-14H2 |
| InChI Key | SMNDVBDBKRCKDY-UHFFFAOYSA-N |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.4041 |
| SMILES | O=C(OCCO)C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCO |
| UNII | SUY5TYP54E |
| Synonyms | UNII-SUY5TYP54E,
SUY5TYP54E,
SCHEMBL13292517,
Ethylene glycol terephthalate (3:2),
Ethylene glycol, terephthalate (3:2),
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)ethane,
1,4-Benzenedicarboxylic acid, 1,2-ethanediyl bis(2-hydroxyethyl) ester,
4,4'-[Ethylenebis(oxycarbonyl)]bis(benzoic acid 2-hydroxyethyl) ester,
1,4-Benzenedicarboxylic acid, 1,1'-(1,2-ethanediyl) 4,4'-bis(2-hydroxyethyl) ester,
2144-69-6,
|
| Complexity | 564 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 446.408g/mol |
| Monoisotopic Mass | 446.121g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number