Tricyclo[3.2.2.0]nonane-2-carboxylic acid
PubChem CID: 564376
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| Compound Synonyms | Tricyclo[3.2.2.0]nonane-2-carboxylic acid, BVXPOAYLAHDJDI-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[3.2.2.01,5]nonane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BVXPOAYLAHDJDI-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.603 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.535 |
| Compound Name | Tricyclo[3.2.2.0]nonane-2-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.303964 |
| Inchi | InChI=1S/C10H14O2/c11-8(12)7-1-2-9-3-5-10(7,9)6-4-9/h7H,1-6H2,(H,11,12) |
| Smiles | C1CC23CCC2(C1C(=O)O)CC3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients