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3-Ethynyltetrahydrofuran

CAT: 0127-OR85979-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR85979-01Size:100 mg
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CAS Number
1100987-19-6
MDL Number
MFCD22566104
Purity
98%
Smiles
C#CC1CCOC1

Chemical Information

3-Ethynyloxolane
CAS Number1100987-19-6
PubChem CID22594387
IUPAC Name3-ethynyloxolane
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP0.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity98
SMILES
C#CC1CCOC1
InChI
InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h1,6H,3-5H2
InChIKey
YHAJZHXJKUOHJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethynyloxolane
CAS: 1100987-19-6
CID: 22594387
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874
Monoisotopic Mass96.057514874
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity98
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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