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2-Hydroxycaproic acid

CAT: 1410-M20063-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M20063-01Size:100 mg
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Description
2-Hydroxycaproic acid is a branched-chain alpha-keto acid that has been reported in normal human blood and in normal amniotic fluid. It has been found that 2-Hydroxycaproic acid is the most significant metabolite found in the CSF of patients infected with Nocardia.
CAS Number
6064-63-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
132.16
Molecular Formula
C6H12O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2-Hydroxyhexanoic acid

2-hydroxyhexanoic acid is a hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2. It has a role as an animal metabolite. It is functionally related to a hexanoic acid. It is a conjugate acid of a 2-hydroxyhexanoate.

CAS Number6064-63-7
PubChem CID99824
IUPAC Name2-hydroxyhexanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CCCCC(C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
NYHNVHGFPZAZGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyhexanoic acid
CAS: 6064-63-7
CID: 99824
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP31
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

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