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86236-18-2 | 2,4-Bis(prop-2-yn-1-yloxy)benzaldehyde
CAS No: 86236-18-2 Catalog No: AG01EXVY MDL No:
Product Description
Catalog Number:
AG01EXVY
Chemical Name:
2,4-Bis(prop-2-yn-1-yloxy)benzaldehyde
CAS Number:
86236-18-2
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
2,4-bis(prop-2-ynoxy)benzaldehyde
InChI:
InChI=1S/C13H10O3/c1-3-7-15-12-6-5-11(10-14)13(9-12)16-8-4-2/h1-2,5-6,9-10H,7-8H2
InChI Key:
DFBKJSQOZZINRS-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)OCC#C)C=O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 2,4-Bis[(prop-2-yn-yl)-oxy]benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20120801 |
| Syntheses and antibacterial activity of phendioxy substituted cyclic enediynes. | Bioorganic & medicinal chemistry letters 20070601 |
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