2-Octynal - CAS 1846-68-0
Catalog: |
BB014152 |
Product Name: |
2-Octynal |
CAS: |
1846-68-0 |
Synonyms: |
oct-2-ynal |
IUPAC Name: | oct-2-ynal |
Description: | 2-Octynal (CAS# 1846-68-0 ) is a useful research chemical. |
Molecular Weight: | 124.18 |
Molecular Formula: | C8H12O |
Canonical SMILES: | CCCCCC#CC=O |
InChI: | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3 |
InChI Key: | DUUGWLGPIZCNLM-UHFFFAOYSA-N |
Boiling Point: | 183.6 °C at 760 mmHg |
Density: | 0.879 g/cm3 |
MDL: | MFCD00134098 |
LogP: | 1.76900 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019276805-A1 | Method for enantioselective carbene c-h insertion using an iron-containing protein catalyst | 20180125 |
WO-2019147865-A1 | A method for enantioselective carbene c-h insertion using an iron-containing protein catalyst | 20180125 |
US-10934531-B2 | Method for enantioselective carbene Câ€"H insertion using an iron-containing protein catalyst | 20180125 |
EP-3639855-A1 | Compounds having caspase inhibitory activity, pharmaceutical agent containing said compounds and for treating or preventing corneal endothelial symptoms, disorders, or diseases, and application of said pharmaceutical agent | 20170616 |
US-2020121652-A1 | Compounds having caspase inhibitory activity, pharmaceutical agent containing said compounds and for treating or preventing corneal endothelial symptoms, disorders, or diseases, and application of said pharmaceutical agent | 20170616 |
PMID | Publication Date | Title | Journal |
15388170 | 20041015 | Enantioselective syntheses of (R)- and (S)-argentilactone and their cytotoxic activities against cancer cell lines | Bioorganic & medicinal chemistry |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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