4-Methoxybenzaldoxime
PubChem CID: 94712
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| Compound Synonyms | 4-Methoxybenzaldehyde oxime, 4-Methoxybenzaldoxime, N-[(4-methoxyphenyl)methylidene]hydroxylamine, (Z)-4-Methoxybenzaldehyde oxime, 4 -methoxybenzaldoxime, SCHEMBL8695977, DTXSID80954133, FXOSHPAYNZBSFO-UHFFFAOYSA-N, DAA71721, AR2369, AKOS017263894 |
|---|---|
| Topological Polar Surface Area | 41.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(4-methoxyphenyl)methylidene]hydroxylamine |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C8H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXOSHPAYNZBSFO-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.091 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.216 |
| Compound Name | 4-Methoxybenzaldoxime |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 151.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2458593636363635 |
| Inchi | InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3 |
| Smiles | COC1=CC=C(C=C1)C=NO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients