- InChI
- InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18-/m0/s1
- InChI Key
- NOQVBHHOUTTZGE-SBJYAEKGSA-N
- Formula
- C18H23NO6
- SMILES
-
CC=C1CC2(CO)OC2(C)C(=O)OCC2=CC
N3CCC(OC1=O)C23 - Molecular Weight1
- 349.38
- 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 | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 0.326 | Crippen Calculated Property | |
| McVol | 249.040 | ml/mol | McGowan Calculated Property |
| Inp | [2510.00; 2521.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Inp | 2510.00 | NIST |
Similar Compounds
Find more compounds similar to Erucifoline (Z).
Sources
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