Diethyl (E)-But-2-Enedioate
Representations & DB's id
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| ChEBI: | CHEBI:87388 | |
|---|---|---|
| ChEMBL: | CHEMBL3187857 | |
| PubChem: | 638144 | |
| IUPAC: | diethyl (E)-but-2-enedioate | |
| Standard InChI: | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+ | |
| Standard InChI Key: | IEPRKVQEAMIZSS-AATRIKPKSA-N | |
| SMILES: | CCOC(=O)/C=C/C(=O)OCC | |
Molecular propeties
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| AlogP: | 0.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 172.07 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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