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Trans-4-Hydroxy-2-nonenoic acid

CAT: 0804-HY-N10923-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N10923-01Size:5 mg
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Description
Trans-4-Hydroxy-2-nonenoic acid (compound 4) is a nature product that could be isolated from the genus Pottsia[1].
CAS Number
95087-42-6
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/trans-4-hydroxy-2-nonenoic-acid.html
Concentration
10mM
Purity
98.64
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(/C=C/C(CCCCC)O)O
Molecular Formula
C9H16O3
Molecular Weight
172.22
References & Citations
[1]Hua ML, et, al. Chemical constituents of the roots of Pottsia laxiflora. Chemistry of Natural Compounds volume. 2013 Feb 17;48:1004-7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2E)-4-hydroxynon-2-enoic acid

4-hydroxynon-2-enoic acid is a medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group. It is a hydroxy fatty acid, an olefinic fatty acid, a straight-chain fatty acid and a medium-chain fatty acid.

CAS Number95087-42-6
PubChem CID10442150
IUPAC Name(E)-4-hydroxynon-2-enoic acid
Molecular FormulaC9H16O3
Molecular Weight172.22
XLogP1.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
CCCCCC(/C=C/C(=O)O)O
InChI
InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/b7-6+
InChIKey
RLNIWODKAMVILO-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of (2E)-4-hydroxynon-2-enoic acid
CAS: 95087-42-6
CID: 10442150
Formula: C9H16O3
MW: 172.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.22
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass172.109944368
Monoisotopic Mass172.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
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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