| CAS Number | 1956377-63-1 |
| Catalog Number | AG01DITO |
| Chemical Name | Diethyl 4,6-Dimethoxyisophthalate |
| IUPAC Name | diethyl 4,6-dimethoxybenzene-1,3-dicarboxylate |
| InChI | InChI=1S/C14H18O6/c1-5-19-13(15)9-7-10(14(16)20-6-2)12(18-4)8-11(9)17-3/h7-8H,5-6H2,1-4H3 |
| InChI Key | PADLKIMOHAENEF-UHFFFAOYSA-N |
| MDL Number | MFCD28991733 |
| Molecular Formula | C14H18O6 |
| Molecular Weight | 282.2891 |
| SMILES | CCOC(=O)c1cc(C(=O)OCC)c(OC)cc1OC |
| Synonyms | Diethyl 4,6-dimethoxyisophthalate,
1956377-63-1,
4,6-DIMETHOXY-ISOPHTHALIC ACID DIETHYL ESTER,
MFCD28991733,
ZINC261508026,
CS-0040022,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.292g/mol |
| Monoisotopic Mass | 282.11g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number