Furfuryl propionate
PubChem CID: 61166
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| Compound Synonyms | Furfuryl propionate, 623-19-8, Furfuryl propanoate, furan-2-ylmethyl propanoate, Furfuryl alcohol, propionate, 2-FURANMETHANOL, PROPANOATE, 2-Furanmethyl propionate, 2-Furanmethyl propanoate, 2-Furanmethanol, 2-propanoate, FEMA No. 3346, 2-Furanylmethyl propanoate, EY0D04ABR5, NSC 35556, Furfuryl propionate (natural), 2-furfuryl propanoate, FEMA 3346, EINECS 210-776-4, NSC-35556, Furfuryl alcohol propanoate, furan-2-ylmethyl propionate, AI3-23591, DTXSID50862312, FURFURYL PROPIONATE [FHFI], Furfuryl alcohol, propionate (8CI), UNII-EY0D04ABR5, MFCD00040262, 2-Furylmethyl propionate, furan-2-ylmethylpropionate, uran-2-ylmethyl propanoate, 2-Furylmethyl propionate #, SCHEMBL151021, propanoic acid 2-furfuryl ester, DTXCID00811097, CHEBI:173660, Furfuryl propionate, >=98%, FG, NSC35556, AKOS015899068, Furfuryl propionate, analytical standard, DB-054130, F1274, NS00043823, E79448, Q27277422, 210-776-4 |
|---|---|
| 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 | CCC=O)OCcccco5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | furan-2-ylmethyl propanoate |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | LGBXNZSSTFWRFS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-Furanmethanol, 2-propanoate, 2-Furanmethanol, propanoate, 2-Furanmethyl propanoate, 2-Furanmethyl propionate, 2-Furanylmethyl propanoate, 2-furfuryl propanoate, 2-Furylmethyl propionate, FEMA 3346, Furfuryl alcohol propanoate, Furfuryl alcohol, propionate, Furfuryl alcohol, propionate (8CI), Furfuryl propanoate, Furfuryl propionate, 2-Furanylmethyl propanoic acid, 2-Furfuryl propanoate, Furfuryl alcohol, propionate (8ci), (Furan-2-yl)methyl propanoic acid, furfuryl propanoate, furfuryl propionate |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O, coc |
| Compound Name | Furfuryl propionate |
| Kingdom | Organic compounds |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| 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/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3 |
| Smiles | CCC(=O)OCC1=CC=CO1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Hispida (Plant) Rel Props:Reference:https://doi.org/10.3923/ip.2011.144.148 - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776