4-Hydroxyindole-3-carboxaldehyde
PubChem CID: 9815282
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| Compound Synonyms | 4-hydroxy-1H-indole-3-carbaldehyde, 81779-27-3, 4-Hydroxyindole-3-carboxaldehyde, 4-hydroxyindole-3-carbaldehyde, MFCD05864721, 1H-Indole-3-carboxaldehyde, 4-hydroxy-, 3-formyl-4-hydroxyindole, 4-hydroxy-3-formylindole, 4-HO-I3CHO, 4-hydroxy-3-indolecarbaldehyde, SCHEMBL6311826, 3-Formyl-4-hydroxy-1H-indole, 4-hydroxy-3-indolecarboxaldehyde, CHEBI:91162, DTXSID10431124, QLBZIZLLMNWTHG-UHFFFAOYSA-N, 4-hydroxy-1h-indole-3-carbalde-hyde, AKOS015856470, HY-W091541, PS-3934, PD158432, SY109695, DB-001845, CS-0136886, Q27163098, 689-332-0 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| 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 | 4-hydroxy-1H-indole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QLBZIZLLMNWTHG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.693 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.679 |
| Compound Name | 4-Hydroxyindole-3-carboxaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0589919999999995 |
| Inchi | InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H |
| Smiles | C1=CC2=C(C(=C1)O)C(=CN2)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients