4-Cyclopropylbutanoic acid
PubChem CID: 19758456
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| Compound Synonyms | 4-cyclopropylbutanoic acid, 5687-84-3, Cyclopropanebutanoic acid, DTXSID40599605, 4-Cyclopropylbutanoate, 4-cyclopropylbutanoicacid, SCHEMBL4612433, DTXCID50550363, FAA68784, AKOS013515428, CS-0262959, EN300-84456, A1-08087 |
|---|---|
| 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 | 4-cyclopropylbutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTFPLPYKIHFSLC-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -1.424 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.959 |
| Compound Name | 4-Cyclopropylbutanoic 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 | 0.0 |
| Esol | -1.4668602 |
| Inchi | InChI=1S/C7H12O2/c8-7(9)3-1-2-6-4-5-6/h6H,1-5H2,(H,8,9) |
| Smiles | C1CC1CCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients