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4-Hydroxynonenal

CAT: 0127-BUP03658-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03658-06Size:100 mg
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CAS Number
75899-68-2
Synonyms
4-HNE
Purity
=95%
Smiles
CCCCCC(O)\C=C\C=O

Chemical Information

4-Hydroxynonenal

4-hydroxynon-2-enal is an enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position. It has a role as a human metabolite. It is a 4-hydroxynonenal, a hydroxyaldehyde and an enal.

CAS Number75899-68-2
PubChem CID5283344
IUPAC Name(E)-4-hydroxynon-2-enal
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP1.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CCCCCC(/C=C/C=O)O
InChI
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
InChIKey
JVJFIQYAHPMBBX-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxynonenal
CAS: 75899-68-2
CID: 5283344
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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

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