2,3,3-Tribromopropenoic acid
PubChem CID: 14227575
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| Compound Synonyms | 2,3,3-tribromopropenoic acid, 71815-46-8, 2,3,3-Tribromoprop-2-enoic acid, 2,3,3-tribromoacrylic acid, 2,3,3-tribromo-2-propenoic acid, 2-Propenoic acid, 2,3,3-tribromo-, SCHEMBL1405628, DTXSID00557706, LMFA01090077, AKOS040758311, DB-337838, HY-133654, CS-0128480 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,3-tribromoprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C3HBr3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKFXMSBXHCEXIK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.873 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.456 |
| Compound Name | 2,3,3-Tribromopropenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.751 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.753 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.75 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2758562 |
| Inchi | InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8) |
| Smiles | C(=C(Br)Br)(C(=O)O)Br |
| Nring | 0.0 |
| 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