Diiodoacetic acid
PubChem CID: 14795000
Connections displayed (default: 10).
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| Compound Synonyms | Diiodoacetic acid, 598-89-0, 2,2-Diiodoacetic Acid, Diiodoethanoic acid, DTXSID10564143, diiodoacetate, SCHEMBL2437229, DTXCID40514919, LMFA01090136, AKOS030255453, FD183044, DB-333961, HY-133659, CS-0128485 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-diiodoacetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C2H2I2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BQAMFNQVNXPFFH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.976 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.783 |
| Compound Name | Diiodoacetic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 311.814 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.814 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 311.84 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4949328 |
| Inchi | InChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
| Smiles | C(C(=O)O)(I)I |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients