- InChI
- InChI=1S/C16H23NO5/c1-4-10(2)15(19)22-13-6-8-17-7-5-12(14(13)17)9-21-16(20)11(3)18/h4,12-14,18H,3,5-9H2,1-2H3/b10-4+/t12-,13-,14?/m0/s1
- InChI Key
- LFJWMCVWUAPRBO-YIWOVYJJSA-N
- Formula
- C16H23NO5
- SMILES
-
C=C(O)C(=O)OCC1CCN2CCC(OC(=O)C
(C)=CC)C12 - Molecular Weight1
- 309.36
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 236.710 | ml/mol | McGowan Calculated Property |
| Inp | [2073.00; 2073.00] |
|
|
| Inp | 2073.00 | NIST | |
| Inp | 2073.00 | NIST |
Similar Compounds
Find more compounds similar to 7-Tigoyl-9-(hydroxypropenoyl) retronecine.
Sources
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