TIK
dimethyl benzene-1,2-dicarboxylate
| Created: | 2023-04-22 |
| Last modified: | 2024-12-25 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | dimethyl benzene-1,2-dicarboxylate |
| Synonyms | Dimethyl phthalate |
| Systematic Name (OpenEye OEToolkits) | dimethyl benzene-1,2-dicarboxylate |
| Formula | C10 H10 O4 |
| Molecular Weight | 194.184 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccccc1C(=O)OC |
| Canonical SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1C(=O)OC |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccccc1C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 |
| InChIKey | InChI | 1.06 | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB13336 |
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| Name | Dimethylphthalate |
| Groups | experimental |
| Synonyms |
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| Categories |
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| ATC-Code | P03BX02 |
| CAS number | 131-11-3 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 8554 |
| ChEMBL | CHEMBL323348 |
| ChEBI | CHEBI:4609 |
