(2E)-hexenoate
PubChem CID: 6997366
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| Compound Synonyms | (2E)-hexenoate, (E)-hex-2-enoate, trans-2-hexenoate, (2E)-hex-2-enoate, BDBM36195, CHEBI:87722, AKOS015900534, Q27159870 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NIONDZDPPYHYKY-SNAWJCMRSA-M |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Compound Name | (2E)-hexenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 113.06 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 113.06 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.2 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 113.13 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hex-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -2.1641432 |
| Inchi | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/p-1/b5-4+ |
| Smiles | CCC/C=C/C(=O)[O-] |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C6H9O2- |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients