4-Hydroxy-3-nitrobenzyl alcohol
PubChem CID: 142550
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hydroxy-3-nitrobenzyl alcohol, 41833-13-0, 4-(Hydroxymethyl)-2-nitrophenol, MFCD00024249, DTXSID70194642, 4-Hydroxy-3- Nitrobenzyl Alcohol, SCHEMBL1736272, DTXCID10117133, 4-(Hydroxymethyl)-2-nitrophenol #, AKOS007930455, AKOS040763847, CS-W005522, FH66790, AC-22893, SY001998, 674-171-0 |
|---|---|
| Topological Polar Surface Area | 86.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)-2-nitrophenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C7H7NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMLGJYRKLCMJPI-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.014 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.765 |
| Compound Name | 4-Hydroxy-3-nitrobenzyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 169.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8322432000000002 |
| Inchi | InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2 |
| Smiles | C1=CC(=C(C=C1CO)[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