2-(2,3,5-Trihydroxyphenyl)acetic acid
PubChem CID: 54106329
Connections displayed (default: 10).
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| Topological Polar Surface Area | 98.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3,5-trihydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C8H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NDZZRGXLHGDGPN-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | 0.195 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.235 |
| Compound Name | 2-(2,3,5-Trihydroxyphenyl)acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 184.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3928498615384615 |
| Inchi | InChI=1S/C8H8O5/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,9-10,13H,2H2,(H,11,12) |
| Smiles | C1=C(C=C(C(=C1CC(=O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Balfourii (Plant) Rel Props:Source_db:cmaup_ingredients