4-Hydroxy-alpha-oxo-benzeneacetaldehyde aldoxime
PubChem CID: 9614328
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| Compound Synonyms | SCHEMBL4452292, CHEBI:203610, AKOS006275785, 2-(4-hydroxyphenyl)-2-oxo acetaldehyde oxime, 4-Hydroxy-alpha-oxo-benzeneacetaldehyde aldoxime, (2E)-2-hydroxyimino-1-(4-hydroxyphenyl)ethanone |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-2-hydroxyimino-1-(4-hydroxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C8H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIMBQAFHVVTXTD-WEVVVXLNSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.77 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.736 |
| Compound Name | 4-Hydroxy-alpha-oxo-benzeneacetaldehyde aldoxime |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 165.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 165.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1855176 |
| Inchi | InChI=1S/C8H7NO3/c10-7-3-1-6(2-4-7)8(11)5-9-12/h1-5,10,12H/b9-5+ |
| Smiles | C1=CC(=CC=C1C(=O)/C=N/O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients