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1-Benzofuran-5-carbaldehyde

PubChem CID: 2773875

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Compound Synonyms 1-Benzofuran-5-carbaldehyde, 10035-16-2, benzofuran-5-carbaldehyde, 5-formylbenzofuran, 5-BENZOFURANCARBOXALDEHYDE, benzofuran-5-carboxaldehyde, MFCD03411182, 5-formylbenzo(b)furan, 5-formylbenzo[b]furan, benzo[b]furan-5-carboxaldehyde, CHEMBL3358215, DTXSID50378761, 5-Formyl-1-benzofuran, 6-(Hexadecanoylamino)-4-methylumbelliferone, benzo[b]furan-5-carbaldehyde, N-(7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)hexadecanamide, SCHEMBL719619, DTXCID00329788, LLLBDLDNTMMZHL-UHFFFAOYSA-N, BDBM50037779, AKOS006229020, CS-W008821, FB10743, MB02725, PS-3367, 1-benzofuran-5-carbaldehyde, AldrichCPR, SY104021, EN300-191407, Z1201622196, 674-714-1
Topological Polar Surface Area 30.2
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 156.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P11509
Iupac Name 1-benzofuran-5-carbaldehyde
Prediction Hob 1.0
Target Id NPT240
Xlogp 1.8
Molecular Formula C9H6O2
Prediction Swissadme 0.0
Inchi Key LLLBDLDNTMMZHL-UHFFFAOYSA-N
Fcsp3 0.0
Logs -3.053
Rotatable Bond Count 1.0
Logd 2.246
Compound Name 1-Benzofuran-5-carbaldehyde
Prediction Hob Swissadme 0.0
Exact Mass 146.037
Formal Charge 0.0
Monoisotopic Mass 146.037
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 146.14
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.413253545454545
Inchi InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
Smiles C1=CC2=C(C=CO2)C=C1C=O
Nring 2.0
Defined Bond Stereocenter Count 0.0