3-Acetyl-2,6-dihydroxy-4-methoxybenzaldehyde
PubChem CID: 610933
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| Compound Synonyms | 3-Acetyl-2,6-dihydroxy-4-methoxybenzaldehyde, 52117-67-6, 2,4-Dihydroxy-6-methoxy-3-formylacetophenone, Benzaldehyde, 3-acetyl-2,6-dihydroxy-4-methoxy-, DTXSID70346280, CHEBI:229171, UOURIOWCMYPGGF-UHFFFAOYSA-N, AKOS030576326, FS-8052, 3-Acetyl-2,6-dihydroxy-4-methoxybenzaldehyde #, Methyl(2,4-dihydroxy-3-formyl-6-methoxy)phenylketone |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-acetyl-2,6-dihydroxy-4-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOURIOWCMYPGGF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.569 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.919 |
| Compound Name | 3-Acetyl-2,6-dihydroxy-4-methoxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.142047 |
| Inchi | InChI=1S/C10H10O5/c1-5(12)9-8(15-2)3-7(13)6(4-11)10(9)14/h3-4,13-14H,1-2H3 |
| Smiles | CC(=O)C1=C(C=C(C(=C1O)C=O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Kansui (Plant) Rel Props:Source_db:cmaup_ingredients