Itaconic Anhydride
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL87967 | |
| PubChem: | 75110 | |
| IUPAC: | 3-methylideneoxolane-2,5-dione | |
| Standard InChI: | InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2 | |
| Standard InChI Key: | OFNISBHGPNMTMS-UHFFFAOYSA-N | |
| SMILES: | O=C1OC(=O)C(=C)C1 | |
Molecular propeties
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| AlogP: | 0.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 112.02 | |
| Topological polar surface area: | 43.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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