2-Propenoic acid, calcium salt (2:1)
PubChem CID: 165442
Connections displayed (default: 10).
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| Compound Synonyms | Calcium acrylate, Calcium diacrylate, 6292-01-9, calcium, prop-2-enoate, 2-Propenoic acid, calcium salt, CALCIUMACRYLATE, Acrylic acid, calcium salt, 2-Propenoic acid, calcium salt (2:1), DTXSID5064203, NSC 8259, EINECS 228-547-2, Calcium acrylate, tech 90, SCHEMBL311614, DTXCID2043589, TXTCTCUXLQYGLA-UHFFFAOYSA-L, NS00081014 |
|---|---|
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | calcium, prop-2-enoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C6H6CaO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXTCTCUXLQYGLA-UHFFFAOYSA-L |
| Fcsp3 | 0.0 |
| Logs | 0.656 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.373 |
| Compound Name | 2-Propenoic acid, calcium salt (2:1) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.989 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.989 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.19 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/2C3H4O2.Ca/c2*1-2-3(4)5, /h2*2H,1H2,(H,4,5), /q, , +2/p-2 |
| Smiles | C=CC(=O)[O-].C=CC(=O)[O-].[Ca+2] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients