2,3-Dimethylfuran
PubChem CID: 34337
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| Compound Synonyms | 2,3-Dimethylfuran, 14920-89-9, Furan, dimethyl-, Dimethyl furan, Furan, 2,3-dimethyl-, DIMETHYLFURAN, 2,3-Dimethyl-furan, 28802-49-5, Dimethyl furane, EINECS 249-235-2, MFCD00153893, 2,3-Dimethylfuran, 99%, CHEMBL108232, DTXSID301027759, BBL103278, GEO-01190, STL557088, AKOS005167026, GS-0659, DB-008777, CS-0204333, D2865, NS00028551, F30226, InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Compound Name | 2,3-Dimethylfuran |
| Description | Dimethyl furan is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Dimethyl furan is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dimethyl furan can be found in garden onion, which makes dimethyl furan a potential biomarker for the consumption of this food product. |
| Exact Mass | 96.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0575 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.2 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 96.13 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylfuran |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 |
| Smiles | CC1=C(OC=C1)C |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H8O |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all