4-((1S)-1-hydroxyethyl)-2-nitrophenol
PubChem CID: 92466487
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| Compound Synonyms | 4-[(1S)-1-Hydroxyethyl]-2-nitrophenol, 1932089-63-8, 4-((1S)-1-hydroxyethyl)-2-nitrophenol, EN300-1826013, 835-016-4 |
|---|---|
| Topological Polar Surface Area | 86.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(1S)-1-hydroxyethyl]-2-nitrophenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C8H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFJFHPWXFUVRCD-YFKPBYRVSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.003 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.021 |
| Compound Name | 4-((1S)-1-hydroxyethyl)-2-nitrophenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 183.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1427490615384612 |
| Inchi | InChI=1S/C8H9NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3/t5-/m0/s1 |
| Smiles | C[C@@H](C1=CC(=C(C=C1)O)[N+](=O)[O-])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients