4-Hydroxybenzaldehyde-d5
PubChem CID: 10701848
Connections displayed (default: 10).
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| Compound Synonyms | 4-Hydroxybenzaldehyde-d5, 298704-22-0, p-Hydroxybenzaldehyde-d5, 4-HYDROXYBENZALDEHYDE-ALPHA,2,3,5,6-D5, SCHEMBL13804892, HY-Y0313S2, CS-0621441, D97984, deuterio-(2,3,5,6-tetradeuterio-4-hydroxy-phenyl)methanone, deuterio-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)methanone |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 5.0 |
| Molecular Complexity | 93.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | deuterio-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C7H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGHHSNMVTDWUBI-RALIUCGRSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.751 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.937 |
| Compound Name | 4-Hydroxybenzaldehyde-d5 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 127.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9061850884513332 |
| Inchi | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i1D,2D,3D,4D,5D |
| Smiles | [2H]C1=C(C(=C(C(=C1C(=O)[2H])[2H])[2H])O)[2H] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carduus Crispus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Drymaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Phellodendron Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients