Benzofuran-6-carbaldehyde
PubChem CID: 14354086
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| Compound Synonyms | Benzofuran-6-carbaldehyde, 123297-88-1, 1-BENZOFURAN-6-CARBALDEHYDE, 6-Benzofurancarbaldehyde, 6-BENZOFURANCARBOXALDEHYDE, MFCD09038098, 6-Benzofurancarboxaldehyde (9CI), 6-FORMYL-2H-1-BENZO[B]FURAN, 6-Formylbenzo[b]furan, benzofuran-6-carboxaldehyde, SCHEMBL3789969, DTXSID00559285, HLSNQZQSNWFXET-UHFFFAOYSA-N, YEA29788, AC3295, ZB0413, AKOS006330398, MB06876, AS-80057, SY026601, CS-0173259, EN300-190636, Z1198184423 |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-benzofuran-6-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLSNQZQSNWFXET-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -6.586 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.152 |
| Compound Name | Benzofuran-6-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.413253545454545 |
| Inchi | InChI=1S/C9H6O2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-6H |
| Smiles | C1=CC(=CC2=C1C=CO2)C=O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients