1,2,3-Butatrien-1-one
PubChem CID: 13410513
Connections displayed (default: 10).
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| Compound Synonyms | 1,2,3-Butatrien-1-one, allene ketone, Butatrien-1-one, 63766-91-6, DTXSID20539908 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C4H2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYJXPRUXQSAMQE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.463 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.261 |
| Compound Name | 1,2,3-Butatrien-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 66.0106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 66.0106 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 66.06 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.28106579999999987 |
| Inchi | InChI=1S/C4H2O/c1-2-3-4-5/h1H2 |
| Smiles | C=C=C=C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients