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Home Aldehydes 3-(Prop-2-yn-1-yloxy)benzaldehyde

3-(Prop-2-yn-1-yloxy)benzaldehyde

CAS No.:
5651-87-6
Catalog Number:
AG00EA9O
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$226
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Product Description
Catalog Number:
AG00EA9O
Chemical Name:
3-(Prop-2-yn-1-yloxy)benzaldehyde
CAS Number:
5651-87-6
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD05625818
IUPAC Name:
3-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C10H8O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7-8H,6H2
InChI Key:
CYAQTWGCPCRKJT-UHFFFAOYSA-N
SMILES:
C#CCOc1cccc(c1)C=O
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis of meso-substituted porphyrins carrying carboranes and oligo(ethylene glycol) units for potential applications in boron neutron capture therapy. Organic & biomolecular chemistry 20030121
Properties