2,3-Dihydrobenzofuran-5-carboxaldehyde - CAS 55745-70-5
Catalog: |
BB029158 |
Product Name: |
2,3-Dihydrobenzofuran-5-carboxaldehyde |
CAS: |
55745-70-5 |
Synonyms: |
2,3-dihydro-1-benzofuran-5-carbaldehyde |
IUPAC Name: | 2,3-dihydro-1-benzofuran-5-carbaldehyde |
Description: | Hair dye composition. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | C1COC2=C1C=C(C=C2)C=O |
InChI: | InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2 |
InChI Key: | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
Boiling Point: | 95-100 ℃ (0.2 mmHg) |
Purity: | 97 % |
Density: | 1.177 g/cm3 |
MDL: | MFCD00068058 |
LogP: | 1.43400 |
GHS Hazard Statement: | H334 (92.86%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] |
Precautionary Statement: | P261, P285, P304+P341, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021107656-A2 | Novel quercetin redox derivative and use thereof as bet inhibitor | 20191126 |
WO-2021107657-A1 | Novel quinazoline redox derivative, and use as bet inhibitor | 20191126 |
WO-2021050721-A1 | Quinoline derivatives and uses in managing cancer | 20190910 |
WO-2020192570-A1 | Small-molecule inhibitor of pd-1/pd-l1, pharmaceutical composition thereof with pd-l1 antibody, and application of same | 20190322 |
WO-2020196327-A1 | Production method of quinolinecarboxamide derivative or production intermediate thereof | 20190322 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
21582947 | 20090627 | (E)-5-(2-Nitro-prop-1-en-yl)-2,3-dihydro-1-benzofuran | Acta crystallographica. Section E, Structure reports online |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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