3-Deuterio-3-phenylpropanal
PubChem CID: 10582834
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 92.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-deuterio-3-phenylpropanal |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGCZTXZTJXYWCO-WHRKIXHSSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.751 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.246 |
| Compound Name | 3-Deuterio-3-phenylpropanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 135.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.079 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 135.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7431414310235998 |
| Inchi | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2/i7D |
| Smiles | [2H]C(CC=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients