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56598-53-9 | Penta-1,4-diyn-3-ol
CAS No: 56598-53-9 Catalog No: AG003DPC MDL No:MFCD14706696
Product Description
Catalog Number:
AG003DPC
Chemical Name:
Penta-1,4-diyn-3-ol
CAS Number:
56598-53-9
Molecular Formula:
C5H4O
Molecular Weight:
80.0847
MDL Number:
MFCD14706696
IUPAC Name:
penta-1,4-diyn-3-ol
InChI:
InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H
InChI Key:
BKDYPNZJRPEUEI-UHFFFAOYSA-N
SMILES:
OC(C#C)C#C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.026g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
80.086g/mol
Monoisotopic Mass:
80.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Au(I)-catalyzed hydrative rearrangement of 1,1-diethynylcarbinol acetates to functionalized cyclopentenones and allenones. | The Journal of organic chemistry 20090102 |
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