Identifikatoren & physikalische Daten
| CAS No. | 20766-31-8 |
|---|
| Summenformel | C11H12O2 |
|---|
| Durchschnittliche Molmasse | 176,21 g/mol |
|---|
| SMILES | COc1cccc(C=CC(C)=O)c1 |
|---|
| InChIKey | NGEZPLCPKXKLQQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 182007 |
|---|
| EC No. | 845-765-9 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|
| Polarare Oberfläche (TPSA) | 26,3 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 196 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
