2-[2,4-Dihydroxy-6-(4-hydroxybenzoyl)oxyphenyl]acetic acid
PubChem CID: 85985286
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| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2,4-dihydroxy-6-(4-hydroxybenzoyl)oxyphenyl]acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FARKQCFHLDLVHE-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.743 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.553 |
| Compound Name | 2-[2,4-Dihydroxy-6-(4-hydroxybenzoyl)oxyphenyl]acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 304.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8836615636363634 |
| Inchi | InChI=1S/C15H12O7/c16-9-3-1-8(2-4-9)15(21)22-13-6-10(17)5-12(18)11(13)7-14(19)20/h1-6,16-18H,7H2,(H,19,20) |
| Smiles | C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2CC(=O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Commutatum (Plant) Rel Props:Source_db:cmaup_ingredients