Showing Metabocard for 5,5'-dehydrodivanillate (BASm0009726)
| Common Name | 5,5'-dehydrodivanillate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C16H14O8 |
| Average Mass | 334.28000 |
| Monoisotopic Mass | 334.06887 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 2134-90-9 |
| SMILES | COc1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(OC)c2O)c1O |
| InChI Identifier | InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22) |
| InChI Key | QGCWGSXMGCSFDM-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:141401 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |