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2-ethenyl-1,3-dioxolane

CAT: 1731-AL BP 0670-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AL BP 0670-01Size:1 mg
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CAS Number
3984-22-3
Purity
0.95
Smiles
C=CC1OCCO1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

1,3-Dioxolane, 2-ethenyl-
CAS Number3984-22-3
PubChem CID77603
IUPAC Name2-ethenyl-1,3-dioxolane
Molecular FormulaC5H8O2
Molecular Weight100.12
XLogP0.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity64
SMILES
C=CC1OCCO1
InChI
InChI=1S/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2
InChIKey
KKBHSBATGOQADJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxolane, 2-ethenyl-
CAS: 3984-22-3
CID: 77603
Formula: C5H8O2
MW: 100.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.12
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass100.052429494
Monoisotopic Mass100.052429494
Topological Polar Surface Area18.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.5
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