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5-Hydroxyhexanoic Acid Sodium Salt

CAT: 0572-TRC-H942825-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942825-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185956-02-9
Synonyms
5-Hydroxycaproic Acid;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
OC(CCCC(O[Na])=O)C
Molecular Formula
C6H11NaO3
Molecular Weight
154.14
InChI
InChI=1S/C6H12O3.Na/c1-5(7)3-2-4-6(8)9;/h5,7H,2-4H2,1H3,(H,8,9);/q;+1/p-1
Additionnal Information
IUPAC name: sodium 5-hydroxyhexanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Hydroxyhexanoic acid

5-hydroxyhexanoic acid is a medium-chain fatty acid that is hexanoic acid substituted at position 5 by a hydroxy group. It has a role as a human urinary metabolite. It is a medium-chain fatty acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 5-hydroxyhexanoate.

CAS Number185956-02-9
PubChem CID170748
IUPAC Name5-hydroxyhexanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CC(CCCC(=O)O)O
InChI
InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
YDCRNMJQROAWFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyhexanoic acid
CAS: 185956-02-9
CID: 170748
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes