Phenyl propionate
PubChem CID: 12497
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| Compound Synonyms | Phenyl propionate, 637-27-4, Propanoic acid, phenyl ester, Propionic Acid Phenyl Ester, PHENYL PROPANOATE, Propionic acid, phenyl ester, phenylpropionate, phenol propionate, 53G5L84IRZ, EINECS 211-282-1, NSC 67977, NSC-67977, UNII-53G5L84IRZ, AI3-04253, DTXSID7060916, 132899-52-6, Propanoic acid, phenyl ester, labeled with carbon-14 (9CI), PROPIONICACIDPHENYLESTER, MFCD00053765, Propanoic acid, phenylester, SCHEMBL45119, Phenyl propionate, AldrichCPR, DTXCID7044055, NSC67977, Propionic acid, phenyl ester (8CI), STL268907, AKOS002710241, DB-255947, CS-0182542, NS00020861, P0509, C13913, Q63392752, 211-282-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCC=O)Occcccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenol esters |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phenyl propanoate |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DYUMLJSJISTVPV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | phenyl propionate |
| Esol Class | Soluble |
| Functional Groups | cOC(C)=O |
| Compound Name | Phenyl propionate |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| Smiles | CCC(=O)OC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698347