6-Hydroxy-2,3,4-trimethoxybenzaldehyde
PubChem CID: 5319402
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| Compound Synonyms | 6-hydroxy-2,3,4-trimethoxybenzaldehyde, Antiarolaldehyde, 832-65-5, STL435626, AKOS022022554 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2,3,4-trimethoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H12O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UZKDLTZUNKKEGE-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.123 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.381 |
| Compound Name | 6-Hydroxy-2,3,4-trimethoxybenzaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1263461999999995 |
| Inchi | InChI=1S/C10H12O5/c1-13-8-4-7(12)6(5-11)9(14-2)10(8)15-3/h4-5,12H,1-3H3 |
| Smiles | COC1=C(C(=C(C(=C1)O)C=O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrostophyllum Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Betula Platyphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hypericum Aucheri (Plant) Rel Props:Source_db:cmaup_ingredients