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Senkyunolide G

CAT: 0931-TN4992Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4992Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
94530-85-5
Target
Others
Related Pathways
Others
Bioactivity
Senkyunolide G and senkyunolide I could serve as pharmacokinetic markers for sepsis care.
Smiles
CCCCC1(O)OC(=O)C2=C1CCC=C2
Molecular Formula
C12H16O3
Molecular Weight
208.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Npc189071
CAS Number94530-85-5
PubChem CID10013283
IUPAC Name3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity341
SMILES
CCCCC1(C2=C(C=CCC2)C(=O)O1)O
InChI
InChI=1S/C12H16O3/c1-2-3-8-12(14)10-7-5-4-6-9(10)11(13)15-12/h4,6,14H,2-3,5,7-8H2,1H3
InChIKey
JGIFAEPLZJPSHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Npc189071
CAS: 94530-85-5
CID: 10013283
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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