Dimethyl phthalate
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CAS Number 131-11-3
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Catalog Number io-2256
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Classification Esters
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Molecular Weight 194.1800
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SMILES COC(=O)C1=CC=CC=C1C(=O)OC
| Size | QTY | Notes | |
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Dimethyl phthalate is a phthalate ester, a diester and a methyl ester.
| 1 | Dimethyl phthalate |
| 2 | DIMETHYLPHTHALATE |
| 3 | Avolin |
| 4 | Mipax |
| 5 | Palatinol M |
| Molecular Formula | C10H10O4 |
|---|---|
| Canonical SMILES | COC(=O)C1=CC=CC=C1C(=O)OC |
| Isomeric SMILES | COC(=O)C1=CC=CC=C1C(=O)OC |
| Molecular Weight | 194.1800 |
| InChIKey | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 |
| XLogP | 1.6000 |
| ExactMass | 194.0579 |
| MonoisotopicMass | 194.0579 |
| TPSA | 52.6000 |
| Complexity | 200.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 79980 |
| PatentFamilyCount | 34562 |
| LiteratureCount | 2457 |
