Non-2-yn-1-ol
PubChem CID: 80017
Connections displayed (default: 10).
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| Compound Synonyms | Non-2-yn-1-ol, 2-Nonyn-1-ol, 5921-73-3, AI3-37269, EINECS 227-646-8, DTXSID00207956, 1-Hydroxy-2-nonyne, MFCD00041566, 2-Nonyn- 1-ol, SCHEMBL1537174, DTXCID50130447, AKOS006230207, AS-76152, CS-0207359, N1115, NS00047344, D91780, 227-646-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | non-2-yn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XERDOEKKHDALKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -2.106 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.516 |
| Compound Name | Non-2-yn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1905012 |
| Inchi | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-6,9H2,1H3 |
| Smiles | CCCCCCC#CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients