| CAS Number | 4105-93-5 |
| Catalog Number | AG003PF1(AGN-PC-03REW7) |
| Chemical Name | Diethyl 1,3,5-benzenetricarboxylate |
| IUPAC Name | 3,5-bis(ethoxycarbonyl)benzoate |
| InChI | InChI=1S/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1 |
| InChI Key | GAVXMTRMXPWCCV-UHFFFAOYSA-M |
| MDL Number | MFCD00274230 |
| Molecular Formula | C13H14O6 |
| Molecular Weight | 266.2467 |
| SMILES | O=C(O)C1=CC(C(OCC)=O)=CC(C(OCC)=O)=C1 |
| Synonyms | Diethyl 1,3,5-benzenetricarboxylate,
4105-93-5,
ACMC-20al9n,
3,5-Bis(ethoxycarbonyl)benzoate,
CTK1D4078,
DTXSID10626639,
GAVXMTRMXPWCCV-UHFFFAOYSA-M,
diethyl 1,3,5-benzene tricarboxylate,
DB-070135,
TC-167234,
FT-0750230,
1,3,5-Benzenetricarboxylic acid, diethyl ester,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.071g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.241g/mol |
| Monoisotopic Mass | 265.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number