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Decanoic acid

CAT: 0926-FD01295-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD01295-02Size:1 Kg
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CAS Number
334-48-5
Synonyms
Capric acid
MDL Number
MFCD00004441
Smiles
CCCCCCCCCC (=O) O
Molecular Formula
C10H20O2
Molecular Weight
172.26 g/mol
Controlled
No

Chemical Information

Decanoic Acid

Decanoic acid is a C10, straight-chain saturated fatty acid. It has a role as a volatile oil component, an antibacterial agent, an anti-inflammatory agent, a plant metabolite, a human metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a decanoate. It derives from a hydride of a decane.

CAS Number334-48-5
PubChem CID2969
IUPAC Namedecanoic acid
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP4.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity110
SMILES
CCCCCCCCCC(=O)O
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey
GHVNFZFCNZKVNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanoic Acid
CAS: 334-48-5
CID: 2969
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity110
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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