3-Pentenal
PubChem CID: 111089
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| Compound Synonyms | 3-Pentenal, penta-3-enal, WUCQRXWCJPCWTQ-UHFFFAOYSA-N, DTXSID801318496, NS00044883 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-3-enal |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C5H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WUCQRXWCJPCWTQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.181 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.769 |
| Compound Name | 3-Pentenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.6705315999999999 |
| Inchi | InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3 |
| Smiles | CC=CCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients