2-[(1S)-4-hydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid
PubChem CID: 163045705
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 83.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1S)-4-hydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUVHLXCMFDJFQF-ZETCQYMHSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.288 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.12 |
| Compound Name | 2-[(1S)-4-hydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 208.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9750477999999998 |
| Inchi | InChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13)/t7-/m0/s1 |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)O[C@H]2CC(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vaccaria Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients