3-Fluoro-4-hydroxyphenylacetic acid
PubChem CID: 68014
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Fluoro-4-hydroxyphenylacetic acid, 458-09-3, 2-(3-fluoro-4-hydroxyphenyl)acetic acid, (3-fluoro-4-hydroxyphenyl)acetic acid, 3-Fluoro-4-hydroxybenzeneacetic acid, MLS000028645, Benzeneacetic acid, 3-fluoro-4-hydroxy-, 2-(3-fluoro-4-hydroxy-phenyl)acetic acid, EINECS 207-275-8, MFCD00004348, DTXSID30196622, (18F)fluoro-3-hydroxyphenylacetic acid, SMR000059137, 3-Fluoro-4-hydroxyphenylaceticacid, Opera_ID_1839, 3-FPAC, MLS001146944, SCHEMBL156006, DTXCID70119113, HMS2231O22, 3-fluoro-4-hydroxyphenylactic acid, CL8962, 3-fluoro-4-hydroxy-phenyl acetic acid, AKOS015853366, CS-W001147, FF71107, FS-1319, NCGC00246998-01, NCGC00246998-02, (3-Fluoro-4-hydroxy-phenyl)-acetic acid, AC-26162, BP-13095, SY025572, 2-(3-fluoro-4-hydroxyphenyl) acetic acid, 3-Fluoro-4-hydroxyphenylacetic acid, 98%, DB-051333, NS00044071, EN300-151055, Z1255445925, 207-275-8 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-fluoro-4-hydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C8H7FO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRFBZAHYMOSSGX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.843 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.622 |
| Compound Name | 3-Fluoro-4-hydroxyphenylacetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0400617999999997 |
| Inchi | InChI=1S/C8H7FO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12) |
| Smiles | C1=CC(=C(C=C1CC(=O)O)F)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients