5-Hydroxy-2-Methoxybenzaldehyde
PubChem CID: 358341
Connections displayed (default: 10).
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| Compound Synonyms | 5-hydroxy-2-methoxybenzaldehyde, 35431-26-6, MFCD03820046, DTXSID10326844, 5-hydroxy-2-methoxy benzaldehyde, 5-hydroxy-2-methoxy-benzaldehyde, NSC618306, 2-Methoxy-5-hydroxybenzaldehyd, SCHEMBL1647101, 3-hydroxy-6-methoxybenzaldehyde, 5-hydroxy-2-methoxybenzaidehyde, CHEMBL1988977, DTXCID00277957, ALBB-024747, Benzaldehyde, 5-hydroxy-2-methoxy-, STK663890, AKOS005526257, CS-W006530, DS-3949, NSC-618306, NCI60_005535, SY104272, 5-hydroxy-2-methoxybenzaldehyde, AldrichCPR, C74824, 814-403-1 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWNIBJPEJAWOTR-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.634 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.115 |
| Compound Name | 5-Hydroxy-2-Methoxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0503601636363635 |
| Inchi | InChI=1S/C8H8O3/c1-11-8-3-2-7(10)4-6(8)5-9/h2-5,10H,1H3 |
| Smiles | COC1=C(C=C(C=C1)O)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Clausena Anisata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
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FOUND_INto/from Clausena Dunniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
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