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Catalog Number | ACM88660100 |
CAS Number | 88660-10-0 |
Synonyms | Piperidine,1-[(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-oxo-2,8-nonadienyl]- |
IUPAC Name | (2E,8E)-9-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one |
Molecular Weight | 341.44 |
Molecular Formula | C21H27NO3 |
Canonical SMILES | C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
InChI | InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+ |
InChI Key | PKLGRWSJBLGIBF-JMQWPVDRSA-N |
Purity | 98%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 468 |
Exact Mass | 341.19909372 |
Heavy Atom Count | 25 |
Isomeric SMILES | C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3 |
Monoisotopic Mass | 341.19909372 |
Topological Polar Surface Area | 38.8Ų |
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