sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 2,4-Bis(prop-2-yn-1-yloxy)benzaldehyde

2,4-Bis(prop-2-yn-1-yloxy)benzaldehyde

CAS No.:
86236-18-2
Catalog Number:
AG01EXVY
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$285
- +
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
MDL Number:
MFCD01823101
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
Properties