Dimethyl 2-cyanoterephthalate
dimethyl 2-cyanobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-cyanoterephthalate|Dimethyl2-cyanoterephthalate|Dimethyl 2-cyanoterephthalate #|dimethyl 2-cyanobenzene-1,4-dioate|2-cyano-terephthalic acid dimethyl ester|Dimethyl 2-cyano-1,4-benzenedicarboxylate|dimethyl 2-cyanobenzene-1,4-dicarboxylate|1,4-DIMETHYL 2-CYANOBENZENE-1,4-DICARBOXYLATE|2-Cyano-1,4-benzenedicarboxylic acid dimethyl ester
CAS: 58331-98-9
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05316 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.05316 |
| Monoisotopic Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 58331-98-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C#N |
| InChIKey | XPUSWRWPEQRGGY-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-cyanoterephthalate (CAS 58331-98-9), with molecular formula C11H9NO4 and molecular weight 219.05316 g/mol. IUPAC: dimethyl 2-cyanobenzene-1,4-dicarboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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