2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid
PubChem CID: 150898
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| Compound Synonyms | 2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid, dOPBA, 1206-69-5, Benzoic acid, 2,4-dihydroxy-6-(2-oxopropyl)-, 2,4-dihydroxy-6-(2-oxopropyl)-benzoic acid, DTXSID10152923, DTXCID3075414, CHEBI:214912, 2,4-Dihydroxy-6-(2-oxopropyl)benzoate, 2,4-dihydroxy-6-(2-oxopropyl) benzoic acid |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dihydroxy-6-(2-oxopropyl)benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIXWWNJBOOYCOG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.3 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.161 |
| Compound Name | 2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.814447 |
| Inchi | InChI=1S/C10H10O5/c1-5(11)2-6-3-7(12)4-8(13)9(6)10(14)15/h3-4,12-13H,2H2,1H3,(H,14,15) |
| Smiles | CC(=O)CC1=C(C(=CC(=C1)O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients