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4-OHE

CAT: 0931-T88397-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88397-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2492-43-5
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
4-OHE ((E) -4-Oxo-2-hexenal), a mutagen, originates from the peroxidation of omega-3 fats and exhibits antibacterial activity .
Smiles
C(/C=C/C=O)(CC)=O
Molecular Formula
C6H8O2
Molecular Weight
112.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-oxo-(E)-2-hexenal

(E)-4-oxohex-2-enal is the enal that is (E)-hex-2-enal substituted with an oxo group at C-4. It is an enal and an enone.

CAS Number2492-43-5
PubChem CID6365145
IUPAC Name(E)-4-oxohex-2-enal
Molecular FormulaC6H8O2
Molecular Weight112.13
XLogP0.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity114
SMILES
CCC(=O)/C=C/C=O
InChI
InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
InChIKey
GVKYFODEMNCLGS-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of 4-oxo-(E)-2-hexenal
CAS: 2492-43-5
CID: 6365145
Formula: C6H8O2
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass112.052429494
Monoisotopic Mass112.052429494
Topological Polar Surface Area34.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity114
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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