- InChI
- InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3
- InChI Key
- XCEPKQNOWNOSFH-UHFFFAOYSA-N
- Formula
- C18H23NO6
- SMILES
-
C=C1CC2(OC2C)C(=O)OC2CCN3CC=C(
COC(=O)C1(C)O)C23 - Molecular Weight1
- 349.38
- CAS
- 5532-23-0
- 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 | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 0.324 | Crippen Calculated Property | |
| McVol | 249.040 | ml/mol | McGowan Calculated Property |
| Inp | [2460.00; 2466.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2466.00 | NIST |
Similar Compounds
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Sources
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