Heptenoic acid
PubChem CID: 29373
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| Compound Synonyms | Heptenoic acid, DTXSID6067090, 25377-46-2, heptaenoic acid, MFCD00014019, EINECS 246-912-4, DTXCID5037288, CHEBI:36151, XH1514, SY050352, DB-044723, DS-013304, NS00027878, D90864, Q27116718, 246-912-4 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hept-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YURNCBVQZBJDAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.397 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.24 |
| Compound Name | Heptenoic acid |
| 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) |
| Smiles | CCCCC=CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Complanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all