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Propargyl Ether

CAT: 0013-GTR19265653-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265653-01Size:50 mg
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Description
Propargyl Ether is an ether applicable in proteomics research. It is also used in the synthesis of polyferrocene.
CAS Number
6921-27-3
Smiles
C#CCOCC#C
Molecular Formula
C6H6O
Molecular Weight
94.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl ether

structure in first source

CAS Number6921-27-3
PubChem CID23349
IUPAC Name3-prop-2-ynoxyprop-1-yne
Molecular FormulaC6H6O
Molecular Weight94.11
XLogP0.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity102
SMILES
C#CCOCC#C
InChI
InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2
InChIKey
HRDCVMSNCBAMAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl ether
CAS: 6921-27-3
CID: 23349
Formula: C6H6O
MW: 94.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.11
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass94.041864811
Monoisotopic Mass94.041864811
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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