Ethyl phenyllactate, (+/-)-
PubChem CID: 6429708
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ethyl 2-hydroxy-3-phenylpropanoate, 15399-05-0, Ethyl 2-hydroxy-3-phenylpropionate, 3-Phenyllactic acid ethyl ester, Ethyl phenyllactate, Phenyllactic acid ethyl ester, FEMA No. 4598, Lactic acid, 3-phenyl-, ethyl ester, R64374A2E5, (+/-)-ethyl phenyllactate, CHEBI:87513, DTXSID50934886, Propanoic acid, 2-hydroxy-3-phenyl, ethyl ester, ETHYL PHENYLLACTATE, (+/-)-, Ethyl phenyllactate, (+-)-, Ethyl alpha-hydroxyhydrocinnamate, UNII-R64374A2E5, Benzenepropanoic acid, alpha-hydroxy-, ethyl ester, SCHEMBL1245765, DTXCID50218335, ethyl2-hydroxy-3-phenylpropanoate, QAA39905, MFCD00128177, AKOS008153803, AS-77549, DA-09910, SY186147, ETHYL .ALPHA.-HYDROXYHYDROCINNAMATE, CS-0198953, 2-hydroxy-3-phenyl-propionic acid ethyl ester, EN300-82299, D97639, Benzopropanoic acid, alpha-hydroxy-, ethyl ester, Q27159686, Z965048074, BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-, ETHYL ESTER |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-hydroxy-3-phenylpropanoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HBOGUIFRIAXYNB-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Ethyl phenyllactate, (+/-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2976688571428574 |
| Inchi | InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3 |
| Smiles | CCOC(=O)C(CC1=CC=CC=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients