2-(4-Acetyloxycyclohexylidene)acetic acid
PubChem CID: 10774324
Connections displayed (default: 10).
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| Topological Polar Surface Area | 63.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-acetyloxycyclohexylidene)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IELQHZQCXAWVCI-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.037 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.099 |
| Compound Name | 2-(4-Acetyloxycyclohexylidene)acetic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.212902 |
| Inchi | InChI=1S/C10H14O4/c1-7(11)14-9-4-2-8(3-5-9)6-10(12)13/h6,9H,2-5H2,1H3,(H,12,13) |
| Smiles | CC(=O)OC1CCC(=CC(=O)O)CC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients