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

CAT: 0931-TN9504-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9504-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
496-64-0
Target
Others
Related Pathways
Others
Purity
0.9721
Bioactivity
3-Hydroxy-2H-pyran-2-one can be used as a chelating agent scaffold for metal ions to inhibit MMP-2 and MMP-9, and is widely used in biochemical experiments and drug synthesis research.
Smiles
O=C1OC=CC=C1O
Molecular Formula
C5H4O3
Molecular Weight
112.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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