(Z)-3-[2-(carboxymethyl)-3,4-dihydroxy-phenyl]prop-2-enoic acid
PubChem CID: 49770696
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-3-[2-(carboxymethyl)-3,4-dihydroxy-phenyl]prop-2-enoic acid |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C11H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUONJHGPPAGOFL-RQOWECAXSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -1.243 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.451 |
| Compound Name | (Z)-3-[2-(carboxymethyl)-3,4-dihydroxy-phenyl]prop-2-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 238.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7108854705882353 |
| Inchi | InChI=1S/C11H10O6/c12-8-3-1-6(2-4-9(13)14)7(11(8)17)5-10(15)16/h1-4,12,17H,5H2,(H,13,14)(H,15,16)/b4-2- |
| Smiles | C1=CC(=C(C(=C1/C=C\C(=O)O)CC(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients