Acetophenone-2',3',4',5',6'-d5
PubChem CID: 11457690
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 28077-64-7, Acetophenone-2',3',4',5',6'-d5, Acetophenone-d5, Acetophenone-(phenyl-d5), 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone, ACETOPHENONE (RING-D5), DTXSID70466417, MFCD00064446, Acetophenone-(phenyl-d?), Ethanone,1-(phenyl-d5)-, pentadeuterophenyl methyl ketone, SCHEMBL1332185, HY-Y0989S, Acetophenone-2'3'4'5'6-d5, DTXCID60417236, DBA07764, ACETOPHENONE (RING-D5, 98%), Acetophenone-(phenyl-d5), 99 atom % D, AS-86573, DB-318544, CS-0226286, 1-[(2,3,4,5,6-?H?)phenyl]ethan-1-one, D98107 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 5.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C8H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWOLFJPFCHCOCG-VIQYUKPQSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.89 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.663 |
| Compound Name | Acetophenone-2',3',4',5',6'-d5 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 125.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.038858688451333 |
| Inchi | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D |
| Smiles | [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C)[2H])[2H] |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Populus Balsamifera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Vincetoxicum Pycnostelma (Plant) Rel Props:Source_db:cmaup_ingredients