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3-Hydroxy-2-pyrone

CAT: 1596-AR-P03308-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03308-04Size:100 Units
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CAS Number
496-64-0
Synonyms
3-hydroxy-2H-pyran-2-one
Molecular Formula
C5H4O3
Molecular Weight
112.08
API Name
Pyridine

Chemical Information

3-Hydroxy-2H-pyran-2-one

3-Hydroxy-2H-pyran-2-one is a pyranone.

CAS Number496-64-0
PubChem CID68130
IUPAC Name3-hydroxypyran-2-one
Molecular FormulaC5H4O3
Molecular Weight112.08
XLogP0.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity167
SMILES
C1=COC(=O)C(=C1)O
InChI
InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H
InChIKey
LIPRKYKMVQPYPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-2H-pyran-2-one
CAS: 496-64-0
CID: 68130
Formula: C5H4O3
MW: 112.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight112.08
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass112.016043985
Monoisotopic Mass112.016043985
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity167
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