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Alpha-Pyrone

CAT: 0931-TN9509-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9509-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
504-31-4
Target
Carbonic Anhydrase, Tyrosinase
Related Pathways
Proteases/Proteasome, Metabolism
Bioactivity
Alpha-Pyrone exhibits inhibitory activity against tyrosinase, carbonic anhydrase 1, and carbonic anhydrase 9 and is widely used in biochemical experiments and drug synthesis research.
Smiles
O=C1OC=CC=C1
Molecular Formula
C5H4O2
Molecular Weight
96.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2H-Pyran-2-one

2H-pyran-2-one is the simplest member of the class of 2-pyranones that is 2H-pyran with an oxo substituent at position 2.

CAS Number504-31-4
PubChem CID68154
IUPAC Namepyran-2-one
Molecular FormulaC5H4O2
Molecular Weight96.08
XLogP0.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity133
SMILES
C1=CC(=O)OC=C1
InChI
InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
InChIKey
ZPSJGADGUYYRKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Pyran-2-one
CAS: 504-31-4
CID: 68154
Formula: C5H4O2
MW: 96.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.08
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass96.021129366
Monoisotopic Mass96.021129366
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity133
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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