p-Anisaldehyde-
PubChem CID: 11252044
Connections displayed (default: 10).
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| Compound Synonyms | p-Anisaldehyde-, A-d1, 19486-71-6, deuterio-(4-methoxyphenyl)methanone, 4-Methoxybenzaldehyde-alpha-d1, 4-Methoxybenzaldehyde-d1, HY-Y0740S, DTXSID40460063, CS-0567914, 4-Methoxybenzaldehyde-alpha-d1, 98 atom % D, D98577 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | deuterio-(4-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C8H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRSNZINYAWTAHE-RAMDWTOOSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.801 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.819 |
| Compound Name | p-Anisaldehyde-, A-d1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 137.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 137.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1111678310235997 |
| Inchi | InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i6D |
| Smiles | [2H]C(=O)C1=CC=C(C=C1)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Osmorhiza Aristata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients