CID 10678810
PubChem CID: 10678810
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 74.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 4.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phthalic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C8H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNGIFLGASWRNHJ-ZNJHHHDMSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.234 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.761 |
| Compound Name | CID 10678810 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.044 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 174.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6175223927999998 |
| Inchi | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i9+2,10+2,11+2,12+2 |
| Smiles | C1=CC=C(C(=C1)C(=[18O])[18OH])C(=[18O])[18OH] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients