6-methoxy-9H-carbazole-3-carbaldehyde
PubChem CID: 5278452
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| Compound Synonyms | 6-methoxy-9H-carbazole-3-carbaldehyde, 107816-72-8, 3-formyl-6-methoxycarbazole, 9H-Carbazole-3-carboxaldehyde, 6-methoxy-, 6-Methoxy-9H-carbazole-3-carboxaldehyde, CHEMBL2036042, SCHEMBL15774313, CHEBI:178581, MPGLRLBJCNRDKU-UHFFFAOYSA-N, DTXSID701310532, 8-Methoxy-2-carbazolecarboxaldehyde (obsol.) |
|---|---|
| Topological Polar Surface Area | 42.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Alkaloid from the roots of Clausena lansium (wampee). 6-Methoxy-9H-carbazole-3-carboxaldehyde is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPGLRLBJCNRDKU-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.828 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.994 |
| Synonyms | 3-Formyl-6-methoxycarbazole, 6-Methoxy-9H-carbazole-3-carboxaldehyde, 8-Methoxy-2-carbazolecarboxaldehyde (obsol.) |
| Compound Name | 6-methoxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 225.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.447013752941176 |
| Inchi | InChI=1S/C14H11NO2/c1-17-10-3-5-14-12(7-10)11-6-9(8-16)2-4-13(11)15-14/h2-8,15H,1H3 |
| Smiles | COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all