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1,3-Dioxolane

CAT: 1596-AR-D07187-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07187-04Size:100 Units
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CAS Number
646-06-0
Synonyms
1,3-dioxolane
Molecular Formula
C3H6O2
Molecular Weight
74.08
API Name
Dioxolane

Chemical Information

1,3-Dioxolane

1,3-dioxolane is a cyclic acetal that is pentane in which the carbon atoms at positions 1 and 3 are replaced by oxygen atoms respectively. It is a dioxolane and a cyclic acetal.

CAS Number646-06-0
PubChem CID12586
IUPAC Name1,3-dioxolane
Molecular FormulaC3H6O2
Molecular Weight74.08
XLogP-0.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity24
SMILES
C1COCO1
InChI
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKey
WNXJIVFYUVYPPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxolane
CAS: 646-06-0
CID: 12586
Formula: C3H6O2
MW: 74.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight74.08
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass74.036779430
Monoisotopic Mass74.036779430
Topological Polar Surface Area18.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity24.1
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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