2-Heptenoic acid, (Z)-
PubChem CID: 5358355
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| Compound Synonyms | (Z)-2-Heptenoic acid, cis-2-Heptenoic acid, 2-Heptenoic acid, (Z)-, (Z)-hept-2-enoic acid, Hept-2c-ensaeure, 1577-31-7, 2-Heptenoic acid, cis-, 5EJ1P4HWDM, hept-2c-enoic acid, cis-Hept-2-ensaeure, 2-Heptenoic acid, (2Z)-, cis-hept-2-enoic acid, UNII-5EJ1P4HWDM, (2Z)-hept-2-enoic acid, NSC 244946, NSC-244946, CHEBI:38365, cis-heptenoic acid, (Z)-heptenoic acid, SCHEMBL3968467, YURNCBVQZBJDAJ-WAYWQWQTSA-N, NSC244946, Q27117588 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hept-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YURNCBVQZBJDAJ-WAYWQWQTSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.397 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.24 |
| Compound Name | 2-Heptenoic acid, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.169 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7125601999999998 |
| Inchi | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5- |
| Smiles | CCCC/C=C\C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Complanatus (Plant) Rel Props:Source_db:cmaup_ingredients