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Protoanemonin

CAT: 0931-TN2420-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2420-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108-28-1
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Protoanemonin is a naturally occurring compound which may be isolated from plants of the family Ranunculaceae. Protoanemonin can also be produced by Pseudomonas sp.
Smiles
O=C1OC(=C)C=C1
Molecular Formula
C5H4O2
Molecular Weight
96.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Protoanemonin

Protoanemonin is a butenolide.

CAS Number108-28-1
PubChem CID66948
IUPAC Name5-methylidenefuran-2-one
Molecular FormulaC5H4O2
Molecular Weight96.08
XLogP0.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity144
SMILES
C=C1C=CC(=O)O1
InChI
InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2
InChIKey
RNYZJZKPGHQTJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Protoanemonin
CAS: 108-28-1
CID: 66948
Formula: C5H4O2
MW: 96.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.08
XLogP30.9
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
Complexity144
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

Alternative Products

CatalogName
MBS5786796Protoanemonin

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