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Jacaranone

CAT: 0013-GTR19179651Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179651Size:5 mg
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Description
Jacaranone (CAS 60263-07-2) is a natural product used as a research chemical in life sciences. It has been studied in vitro for its cytotoxic properties and potential role in apoptosis research, making it relevant for pharmacological and biochemical investigations.
CAS Number
60263-07-2
Smiles
O=C1C=CC (O) (C=C1) CC (=O) OC
Molecular Formula
C9H10O4
Molecular Weight
182.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jacaranone

sedative; structure

CAS Number60263-07-2
PubChem CID73307
IUPAC Namemethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity272
SMILES
COC(=O)CC1(C=CC(=O)C=C1)O
InChI
InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
InChIKey
WJZSKNRPRWCLLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jacaranone
CAS: 60263-07-2
CID: 73307
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity272
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
TN5797Jacaranone

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