2-(2-Ethoxy-1-methoxyethyl)furan
PubChem CID: 573718
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| Compound Synonyms | 2-(2-Ethoxy-1-methoxyethyl)furan, Furan, 2-(2-ethoxy-1-methoxyethyl)-, 72403-07-7, CHEBI:87286, QAPKSMIEGHZSPY-UHFFFAOYSA-N, 2-(2-Ethoxy-1-methoxyethyl)furan #, Q27159491 |
|---|---|
| Topological Polar Surface Area | 31.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-ethoxy-1-methoxyethyl)furan |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C9H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QAPKSMIEGHZSPY-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 2-(2-Ethoxy-1-methoxyethyl)furan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.094 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 170.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 170.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4595229333333333 |
| Inchi | InChI=1S/C9H14O3/c1-3-11-7-9(10-2)8-5-4-6-12-8/h4-6,9H,3,7H2,1-2H3 |
| Smiles | CCOCC(C1=CC=CO1)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients