Propanedioic acid, 2-heptyl-, 1,3-dimethyl ester
dimethyl 2-heptylpropanedioate
Also Known As: Dimethyl heptylmalonate|Dimethyl 2-heptylpropanedioate|1-Chlorodibenzo-p-dioxin|Dimethyl heptylpropanedioate|Propanedioic acid, heptyl-, dimethyl ester|DIMETHYL N-HEPTYLMALONATE|1,3-dimethyl 2-heptylpropanedioate|2-Heptyl-malonic acid dimethyl ester|Propanedioic acid, 2-heptyl-, 1,3-dimethyl ester|2-Heptylpropanedioic acid dimethyl ester|Propanedioic acid,2-heptyl-, 1,3-dimethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15181 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Monoisotopic Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 94546-56-2 |
|---|---|
| SMILES | CCCCCCCC(C(=O)OC)C(=O)OC |
| InChIKey | UPVFLKZRQSPLQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2-heptyl-, 1,3-dimethyl ester (CAS 94546-56-2), with molecular formula C12H22O4 and molecular weight 230.15181 g/mol. IUPAC: dimethyl 2-heptylpropanedioate.
Propanedioic acid, 2-heptyl-, 1,3-dimethyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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