Showing Metabocard for 1-(3,4,5-trihydroxy-7-methoxynaphthalen-2-yl)propan-2-one (BASm0010753)
| Common Name | 1-(3,4,5-trihydroxy-7-methoxynaphthalen-2-yl)propan-2-one |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C14H14O5 |
| Average Mass | 262.26100 |
| Monoisotopic Mass | 262.08412 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(O)c2c(O)c(O)c(CC(C)=O)cc2c1 |
| InChI Identifier | InChI=1S/C14H14O5/c1-7(15)3-9-4-8-5-10(19-2)6-11(16)12(8)14(18)13(9)17/h4-6,16-18H,3H2,1-2H3 |
| InChI Key | GPPDGBMAJNJLMU-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:146020 |
| MiMeDB ID | MMDBc0055096 |
| State | Expected Solid |
| 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 |