5-Methoxyfuran-2-carbaldehyde
PubChem CID: 6208
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| Compound Synonyms | 5-methoxyfuran-2-carbaldehyde, 21300-07-2, 5-Methoxyfuraldehyde, 2-Furancarboxaldehyde, 5-methoxy-, 5-methoxyfurfural, 5-methoxy-furan-2-carbaldehyde, SCHEMBL54493, 5-Methoxy-2-furancarboxaldehyde, DTXSID00274481, RJGBSYZFOCAGQY-UHFFFAOYSA-N, WAA30007, AKOS017669778, AT17092, DB-185900, EN300-384360, Z1309664827, 848-102-1 |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxyfuran-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C6H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJGBSYZFOCAGQY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -1.116 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.174 |
| Compound Name | 5-Methoxyfuran-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 126.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.587699311111111 |
| Inchi | InChI=1S/C6H6O3/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3 |
| Smiles | COC1=CC=C(O1)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients