4-Methoxybenzaldehyde oxime
PubChem CID: 5371961
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| Compound Synonyms | 4-Methoxybenzaldehyde oxime, 3717-22-4, 4-Methoxy-benzaldehyde oxime, 3717-21-3, p-Anisaldehyde oxime, 3235-04-9, Anisaldoxime, Benzaldehyde, 4-methoxy-, oxime, p-Methoxybenzaldoxime, (NZ)-N-[(4-methoxyphenyl)methylidene]hydroxylamine, p-Anisaldehyde, oxime, (E)-4-Methoxybenzaldehyde oxime, p-Methoxybenzaldehyde oxime, (NE)-N-[(4-methoxyphenyl)methylidene]hydroxylamine, (Z)-4-Methoxybenzaldehyde oxime, p-Methoxy-syn-benzaldoxime, p-Methoxy-anti-benzaldoxime, p-Anisaldehyde, oxime, (E)-, syn-p-Anisaldoxime, anti-p-Anisaldoxime, MFCD00137433, 4-Methoxy-benzaldoxim, 4-Methoxy-benzaldoxime, Benzaldehyde, 4-methoxy-, oxime, (E)-, p-Anisaldehyde, (E)-, p-Anisaldehyde, (Z)-, NSC44, (E)-4-Methoxybenzaldehydeoxime, CHEMBL172979, NSC 44, NSC-44, SCHEMBL1566907, (1E)-4-methoxybenzaldehyde oxime, DTXSID701295986, ALBB-023277, EINECS 221-788-4, [C(Z)]-4-Methoxybenzaldehyde oxime, NSC136032, NSC136033, STL069572, AKOS000503115, NSC-136032, NSC-136033, NCGC00323540-01, AS-45340, AI3-19028, CS-0307739, CS-0369380, EN300-06090, (E)-N-hydroxy-1-(4-methoxyphenyl)methanimine, AB01318939-02, Z49568452 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P29477, O42275 |
| Iupac Name | (NE)-N-[(4-methoxyphenyl)methylidene]hydroxylamine |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C8H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXOSHPAYNZBSFO-RMKNXTFCSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.091 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.216 |
| Compound Name | 4-Methoxybenzaldehyde oxime |
| 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/b9-6+ |
| Smiles | COC1=CC=C(C=C1)/C=N/O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Uncaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all