Ethyl hexa-2,4-dienoate
PubChem CID: 16970
Connections displayed (default: 10).
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| Compound Synonyms | DTXSID20862920, ETHYL HEXADIENOATE, MFCD00009296, DTXCID60811619, 5941-48-0, BCP21819, AKOS017265621, SY048320, DB-046306, NS00018671, Ethyl 2,4-hexadienoate pound>>Ethyl hexa-2,4-dienoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl hexa-2,4-dienoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C8H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OZZYKXXGCOLLLO-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Ethyl hexa-2,4-dienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 140.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 140.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.6736283999999997 |
| Inchi | InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3 |
| Smiles | CCOC(=O)C=CC=CC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients