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4-hydroxy Hexenal

CAT: 0013-GTR19191676-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191676-03Size:100 mg
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Description
4-Hydroxyhexenal (4-HHE) is a cytotoxic aldehyde generated during the oxidation of ω-3 polyunsaturated fatty acids. It is a key biomarker for oxidative stress research and is used in studies of lipid peroxidation, inflammation, and cellular toxicity in both in vitro and in vivo models.
CAS Number
17427-21-3
Field of Research
Metabolism Research
Smiles
C (/C=C/C=O) (CC) O
Molecular Formula
C6H10O2
Molecular Weight
114.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxyhexenal

4-hydroxyhexenal is a monounsaturated fatty aldehyde.

CAS Number17427-21-3
PubChem CID5283314
IUPAC Name(E)-4-hydroxyhex-2-enal
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP0.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CCC(/C=C/C=O)O
InChI
InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+
InChIKey
JYTUBIHWMKQZRB-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyhexenal
CAS: 17427-21-3
CID: 5283314
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes