3-Ethoxy-4-hydroxybenzoic acid
PubChem CID: 95085
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| Compound Synonyms | 3-Ethoxy-4-hydroxybenzoic acid, 5438-38-0, 3-Ethoxy-4-hydroxy-benzoic acid, Benzoic acid, 3-ethoxy-4-hydroxy-, RA38VF9XH9, NSC-16681, 3-Ethoxy-p-hydroxybenzoic acid, NSC 16681, UNII-RA38VF9XH9, DTXSID70202751, 4-HYDROXY-3-ETHOXYBENZOIC ACID, NSC16681, 3-ethoxy-4-hydroxybenzoate, 3-Ethoxy-4-hydroxybenzoicacid, SCHEMBL384608, DTXCID00125242, 3-Ethoxy-4-hydroxybenzoic acid #, BBL034933, MFCD06203134, STL417702, AKOS000302026, VS-12762, DB-117245, CS-0437322, F87984 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxy-4-hydroxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFDSMZGWVHEDHT-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.176 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.825 |
| Compound Name | 3-Ethoxy-4-hydroxybenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2470234615384617 |
| Inchi | InChI=1S/C9H10O4/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5,10H,2H2,1H3,(H,11,12) |
| Smiles | CCOC1=C(C=CC(=C1)C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients