Ethyl 2,3-dihydrobenzofuran-2-carboxylate
PubChem CID: 3016413
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| Compound Synonyms | 43119-53-5, Ethyl 2,3-dihydrobenzofuran-2-carboxylate, 2-Benzofurancarboxylic acid, 2,3-dihydro-, ethyl ester, ethyl 2,3-dihydro-1-benzofuran-2-carboxylate, SCHEMBL9129772, DTXSID50962907, AKOS009114973, DB-364343, 2,3-dihydro-benzofuran-2-carboxylic acid ethyl ester, 2,3-DIHYDRO-2-BENZOFURANCARBOXYLIC ACID ETHYL ESTER |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | UXWAUYCFFCPXGC-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | liquid |
| Synonyms | 2-Benzofurancarboxylic acid, 2,3-dihydro-, ethyl ester, 2,3-Dihydro-1-benzofuran, 2,3-Dihydrobenzofuran, 2,3-Dihydrobenzofurane, Coumaran, Coumaran (2,3-dihydrobenzofuran), Dihydrobenzofuran, Dihydrocoumarone, ethyl 2,3-dihydro-1-benzofuran-2-carboxylate, Ethyl 2,3-dihydrobenzofuran-2-carboxylate, Kumaran, Ethyl 2,3-dihydro-1-benzofuran-2-carboxylic acid |
| Heavy Atom Count | 14.0 |
| Compound Name | Ethyl 2,3-dihydrobenzofuran-2-carboxylate |
| Kingdom | Organic compounds |
| Description | Dihydrobenzofuran, also known as ethyl 2,3-dihydrobenzofuran-2-carboxylate, 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. Dihydrobenzofuran is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydrobenzofuran can be found in fenugreek, which makes dihydrobenzofuran a potential biomarker for the consumption of this food product. |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2,3-dihydro-1-benzofuran-2-carboxylate |
| Total Atom Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Coumarans |
| Inchi | InChI=1S/C11H12O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-6,10H,2,7H2,1H3 |
| Smiles | CCOC(=O)C1CC2=CC=CC=C2O1 |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Coumarans |
| Molecular Formula | C11H12O3 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all