2,6-Dimethoxy-4-hydroxybenzaldehyde
PubChem CID: 529894
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| Compound Synonyms | 4-Hydroxy-2,6-dimethoxybenzaldehyde, 22080-96-2, 2,6-Dimethoxy-4-hydroxybenzaldehyde, 4-hydroxy-2,6-dimethoxy-benzaldehyde, Benzaldehyde, 4-hydroxy-2,6-dimethoxy-, MFCD01407645, 4-FORMYL-3,5-DIMETHOXYPHENOL, 3,5-DIMETHOXY-4-FORMYL-PHENOL, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), SCHEMBL283354, DTXSID10336201, BCP18466, AKOS015856537, AB09103, AC-4471, CS-W001092, FD50717, PS-3331, SY030046, 2,6-Dimethoxy-4-hydroxybenzaldehyde, 95%, DB-045785, 2 pound not6-dimethoxy-4-hydroxybenzaldehyde, H1326, 10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1, doi:10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1, 2,6-Dimethoxy-4-hydroxybenzaldehyde, 4-hydroxy-2,6-dimethoxy-benzaldehyde, InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H, 624-897-9 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2,6-dimethoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C9H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZWPJAZIRZFCGX-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.811 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.237 |
| Compound Name | 2,6-Dimethoxy-4-hydroxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1067234615384614 |
| Inchi | InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1C=O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbophyllum Odoratissimum (Plant) Rel Props:Source_db:cmaup_ingredients