Methyl cis-icos-11-enoate
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CAS Number 69119-90-0
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Catalog Number io-406974
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Molecular Weight 324.5000
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SMILES
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| 1 | Methyl cis-icos-11-enoate |
| 2 | EINECS 219-226-8 |
| 3 | RefChem:817684 |
| 4 | METHYL TRANS-11-EICOSENOATE |
| 5 | 11-Eicosenoic acid, methyl ester |
| Molecular Formula | C21H40O2 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 324.5000 |
| InChIKey | RBKMRGOHCLRTLZ-ZHACJKMWSA-N |
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+ |
| XLogP | 8.7000 |
| ExactMass | 324.3028 |
| MonoisotopicMass | 324.3028 |
| TPSA | 26.3000 |
| Complexity | 271.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 18 |
| HeavyAtomCount | 23 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 41 |
| PatentFamilyCount | 20 |
| LiteratureCount | 22 |
