EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O2 |
| Net Charge | 0 |
| Average Mass | 176.215 |
| Monoisotopic Mass | 176.08373 |
| SMILES | Cc1ccc(/C=C/C(=O)O)c(C)c1 |
| InChI | InChI=1S/C11H12O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+ |
| InChIKey | UFSZMHHSCOXWPC-AATRIKPKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4-Dimethylcinnamic acid (CHEBI:228328) is a cinnamic acids (CHEBI:23252) |
| IUPAC Name |
|---|
| (E)-3-(2,4-dimethylphenyl)prop-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 10332257 | ChemSpider |