HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106979Generated: November 2, 2026
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester
https://huagongshe.com/en/chemical/106979
Identifiers & Physical Properties
| CAS No. | 67939-32-6 |
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| Molecular formula | C46H88O7 |
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| Average molar mass | 753.2 g/mol |
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| Monoisotopic mass | 752.65300514 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(C(=O)O)C(CCCC)C(=O)OCCCCCCCCCCCCCCCCCC |
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| InChIKey | DOSHYJNSMFWYSD-UHFFFAOYSA-N |
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| PubChem CID | 106979 |
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| EC No. | 267-833-1 |
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Chemical & Physical Properties
| XLogP | 18.3 |
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| Topological polar surface area | 110 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 44 |
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| Heavy atoms | 53 |
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| Formal charge | 0 |
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| Complexity | 831 |
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