Methyl 2,4-diformyl-3,5-dihydroxybenzoate
PubChem CID: 102516032
Connections displayed (default: 10).
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,4-diformyl-3,5-dihydroxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWCSOSQCVQPRGS-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -3.119 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.304 |
| Compound Name | Methyl 2,4-diformyl-3,5-dihydroxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 224.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5835415999999998 |
| Inchi | InChI=1S/C10H8O6/c1-16-10(15)5-2-8(13)7(4-12)9(14)6(5)3-11/h2-4,13-14H,1H3 |
| Smiles | COC(=O)C1=CC(=C(C(=C1C=O)O)C=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clibadium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Globularia Nudicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helianthus Pumilus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Leucas Aspera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Schkuhria Anthemoidea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Stemona Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients