- InChI
- InChI=1S/C11H13NO/c1-8(2)13-10-4-3-9-5-6-12-11(9)7-10/h3-8,12H,1-2H3
- InChI Key
- VYUAYKJMJXXCLP-UHFFFAOYSA-N
- Formula
- C11H13NO
- SMILES
- CC(C)Oc1ccc2cc[nH]c2c1
- Molecular Weight1
- 175.23
- 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.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 2.473 | Crippen Calculated Property | |
| McVol | 142.780 | ml/mol | McGowan Calculated Property |
| Inp | [1649.00; 1657.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1649.00 | NIST | |
| I | [2800.00; 2814.00] |
|
|
| I | 2800.00 | NIST | |
| I | 2814.00 | NIST | |
| I | 2800.00 | NIST |
Similar Compounds
Find more compounds similar to 6-isopropoxy-indole.
Sources
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