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Nezukone

CAT: 0931-T19475-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19475-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13656-81-0
Target
Others
Related Pathways
Others
Bioactivity
Nezukone, a derivative of hinokitiol, cannot bind or transport iron.
Smiles
CC(C)c1cccc(=O)cc1
Molecular Formula
C10H12O
Molecular Weight
148.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nezukone

4-isopropylcyclohepta-2,4,6-trien-1-one has been reported in Alpinia zerumbet and Etlingera elatior with data available.

CAS Number13656-81-0
PubChem CID570867
IUPAC Name4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity242
SMILES
CC(C)C1=CC=CC(=O)C=C1
InChI
InChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-8H,1-2H3
InChIKey
IWPWMAJDSLSRIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nezukone
CAS: 13656-81-0
CID: 570867
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity242
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
MBS3844202-01Nezukone
A19749-10Nezukone 10mg
A19749-50Nezukone 50mg
A19749-100Nezukone 100mg
A19749-5Nezukone 5mg
A19749-25Nezukone 25mg

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