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Gibepyrone D

CAT: 0013-GTR19228119-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228119-02Size:2 mg
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Description
Gibepyrone D (CAS 146446-08-4) is a research chemical employed in life science studies. It serves as a valuable tool compound for in vitro investigations within microbiology and natural product research, facilitating the study of biological pathways and interactions.
CAS Number
146446-08-4
Smiles
C\C (=C/C (O) =O) c1ccc (C) c (=O) o1
Molecular Formula
C10H10O4
Molecular Weight
194.186
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gibepyrone D

Gibepyrone D is a pyranone.

CAS Number146446-08-4
PubChem CID20056005
IUPAC Name(E)-3-(5-methyl-6-oxopyran-2-yl)but-2-enoic acid
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity372
SMILES
CC1=CC=C(OC1=O)/C(=C/C(=O)O)/C
InChI
InChI=1S/C10H10O4/c1-6-3-4-8(14-10(6)13)7(2)5-9(11)12/h3-5H,1-2H3,(H,11,12)/b7-5+
InChIKey
MQNNRPUVAMHCCO-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of Gibepyrone D
CAS: 146446-08-4
CID: 20056005
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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