Isomagnaldehyde
PubChem CID: 71580865
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| Compound Synonyms | Isomagnaldehyde, CHEMBL2346745, 4-(4-allylphenoxy)-3-hydroxy-benzaldehyde, 3-hydroxy-4-(4-prop-2-enylphenoxy)benzaldehyde |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-4-(4-prop-2-enylphenoxy)benzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NULLTEXOKIQKBN-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.137 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.297 |
| Compound Name | Isomagnaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8219354210526313 |
| Inchi | InChI=1S/C16H14O3/c1-2-3-12-4-7-14(8-5-12)19-16-9-6-13(11-17)10-15(16)18/h2,4-11,18H,1,3H2 |
| Smiles | C=CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Streblus Asper (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all