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Hexanoic acid

CAT: 0013-GTR19164395-01Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164395-01Size:20 mg
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Description
Hexanoic acid is a compound with a purity of ≥98%, a CAS number of 142-62-1, and a molecular weight of 116.1.
CAS Number
142-62-1
Purity
> =98%
Molecular Formula
C6H12O2
Molecular Weight
116.1
Notes
For research use only.
Applications Notes
Miscellaneous

Chemical Information

Hexanoic Acid

Hexanoic acid is a C6, straight-chain saturated fatty acid. It has a role as a plant metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a hexanoate.

CAS Number142-62-1
PubChem CID8892
IUPAC Namehexanoic acid
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity68
SMILES
CCCCCC(=O)O
InChI
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
FUZZWVXGSFPDMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexanoic Acid
CAS: 142-62-1
CID: 8892
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity68.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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