4-Hydroxyethylbenzoate
PubChem CID: 22257526
Connections displayed (default: 10).
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| Compound Synonyms | 4-hydroxyethylbenzoate, FUWHCTSQIAULAK-UHFFFAOYSA-M |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-hydroxyethyl)benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C9H9O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUWHCTSQIAULAK-UHFFFAOYSA-M |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.097 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.907 |
| Compound Name | 4-Hydroxyethylbenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 165.055 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 165.055 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3653416000000003 |
| Inchi | InChI=1S/C9H10O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2,(H,11,12)/p-1 |
| Smiles | C1=CC(=CC=C1CCO)C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Epimedium Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Epimedium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Epimedium Sagittatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Epimedium Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients