Propylcyclopropane
PubChem CID: 17014
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| Compound Synonyms | PROPYLCYCLOPROPANE, Cyclopropane, propyl-, Propane, 1-cyclopropyl-, 2415-72-7, DTXSID20178851, Cyclopropane, propyl, DTXCID80101342, AKOS006275858 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propylcyclopropane |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C6H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWVPQZRIWVPJCA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.299 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.212 |
| Compound Name | Propylcyclopropane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 84.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 84.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0946044 |
| Inchi | InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3 |
| Smiles | CCCC1CC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients