3,6-Dimethyl-2,3-dihydro-1-benzofuran
PubChem CID: 58047283
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,6-dimethylcoumaran, 160040-00-6, 3,6-Dimethyl-2,3-dihydro-1-benzofuran, 3,6-Dimethyl-2,3-dihydrobenzofuran, SCHEMBL6327487, DTXSID50728702 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NUGFZCHRZRZHLK-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | 3,6-Dimethyl-2,3-dihydro-1-benzofuran |
| Description | 3,6-dimethylcoumaran is a member of the class of compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. 3,6-dimethylcoumaran is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,6-dimethylcoumaran can be found in dill, which makes 3,6-dimethylcoumaran a potential biomarker for the consumption of this food product. |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethyl-2,3-dihydro-1-benzofuran |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H12O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-5,8H,6H2,1-2H3 |
| Smiles | CC1COC2=C1C=CC(=C2)C |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H12O |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all