- InChI
- InChI=1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H
- InChI Key
- NFGGQMYSOLVBLF-UHFFFAOYSA-N
- Formula
- C11H9NO
- SMILES
- O=C(c1ccccc1)c1ccc[nH]1
- Molecular Weight1
- 171.20
- CAS
- 7697-46-3
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 1.764 | Crippen Calculated Property | |
| McVol | 134.180 | ml/mol | McGowan Calculated Property |
| Tboil | 578.00 | K | NIST |
| Tfus | 352.00 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.00 | K | 0.01 | NIST |
Similar Compounds
Find more compounds similar to Ketone, phenyl pyrrol-2-yl.
Sources
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