| Pubchem ID | 323 |
|---|---|
| CAS | 91-64-5 |
| IUPAC name | chromen-2-one |
| Synonyms | 2H-Chromen-2-one|2H-1-Benzopyran-2-one|cumarin|1,2-Benzopyrone|Rattex|chromen-2-one|Tonka bean camphor|Coumarinic anhydride|Coumarine|Benzo-alpha-pyrone|cis-o-Coumarinic acid lactone|o-Hydroxycinnamic acid lactone|o-Hydroxycinnamic lactone|2-Oxo-1,2-benzopyran|Coumarinic lactone|Kumarin|Benzo-a-pyrone|Kumarin [Czech]|2H-1-Benzopyran, 2-oxo-|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C2C(=C1)C=CC(=O)O2 |
| InCheykey | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 146.145 | 0 | 2 | 0 | 26.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |