1-(3,4-Dimethoxyfuran-2-yl)ethanone
PubChem CID: 5316662
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| Compound Synonyms | C8H10O4, SCHEMBL6857897 |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dimethoxyfuran-2-yl)ethanone |
| Prediction Hob | 0.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H10O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SZUVOHPGDMWXRD-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -1.427 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.68 |
| Compound Name | 1-(3,4-Dimethoxyfuran-2-yl)ethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.603850133333333 |
| Inchi | InChI=1S/C8H10O4/c1-5(9)7-8(11-3)6(10-2)4-12-7/h4H,1-3H3 |
| Smiles | CC(=O)C1=C(C(=CO1)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dictamnus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients