Ethyl 2-furoate
PubChem CID: 11980
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| Compound Synonyms | ETHYL 2-FUROATE, Ethyl furan-2-carboxylate, 614-99-3, Ethyl furoate, Ethyl 2-furancarboxylate, 1335-40-6, 2-Furancarboxylic acid, ethyl ester, Ethyl-2-furoate, Ethyl pyromucate, 2-Carboethoxyfuran, Ethyl2-furoate, Ethyl 2-furylcarboxylate, Furan-2-carboxylic acid ethyl ester, 2-Furoic acid, ethyl ester, 2-(Ethoxycarbonyl)furan, NSC 2304, 2-Furoic Acid Ethyl Ester, EINECS 210-404-0, BRN 0002653, AI3-23056, Furancarboxylic acid, ethyl ester, S1H449R92T, NSC-2304, MFCD00003237, DTXSID0060640, 2-FUROIC ACID ETHYL ESTER [MI], Furoic acid, ethyl ester, Ethyl 2-furan carboxylate, UNII-31OM7UT24E, UNII-S1H449R92T, 2-Furancarboxylic Acid Ethyl Ester, EINECS 215-631-9, ethyl uran-2-carboxylate, Ethyl 2-furoate, 99%, WLN: T5OJ BVO2, SCHEMBL859237, 31OM7UT24E, CHEMBL4634762, DTXCID2043032, NSC2304, CHEBI:169174, Ethyl 2-furoate, >=98%, FG, BBL001830, STK037149, AKOS000119259, FE70446, AS-14743, BP-13163, SY013608, DB-003644, DB-297597, CS-0015334, F0098, NS00022502, EN300-16109, H11621, Q27288446, Z54848724, F0001-1621, InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H, 210-404-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)cccco5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Furans |
| Description | Flavouring compound [Superscent] |
| Scaffold Graph Node Level | C1CCOC1 |
| Classyfire Subclass | Furoic acid and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl furan-2-carboxylate |
| Class | Furans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Furoic acid and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8O3 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | NHXSTXWKZVAVOQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | Ethyl furoic acid, Ethyl furan-2-carboxylic acid, Ethyl 2-furoic acid, ethyl 2-furoate, ethyl furoate |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)OC, coc |
| Compound Name | Ethyl 2-furoate |
| Kingdom | Organic compounds |
| Exact Mass | 140.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 140.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3 |
| Smiles | CCOC(=O)C1=CC=CO1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Furoic acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Carissa Carandas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698764 - 2. Outgoing r'ship
FOUND_INto/from Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116