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Pyromeconic acid

CAT: 0013-GTR19166571-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166571-02Size:50 mg
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Description
Pyromeconic acid
CAS Number
496-63-9
Product Name Alternative
3-hydroxy-4H-pyran-4-one, Anti-infection, Antiinfection, Pyromeconic acid
Field of Research
Infectious Disease & Virology
Purity
99.35% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (17.84 mM) ; DMSO:45 mg/mL (401.5 mM)
Smiles
OC1=COC=CC1=O
Molecular Formula
C5H4O3
Molecular Weight
112.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxy-4H-pyran-4-one

3-hydroxy-4H-pyran-4-one has been reported in Erigeron breviscapus, Parthenium integrifolium, and Erigeron annuus with data available.

CAS Number496-63-9
PubChem CID68129
IUPAC Name3-hydroxypyran-4-one
Molecular FormulaC5H4O3
Molecular Weight112.08
XLogP0
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=C(C1=O)O
InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
InChIKey
VEYIMQVTPXPUHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-4H-pyran-4-one
CAS: 496-63-9
CID: 68129
Formula: C5H4O3
MW: 112.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.08
XLogP30
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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