Henicosanoic Acid

CAT: 0127-OR1013479-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1013479-01Size:100 mg

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CAS Number

2363-71-5

MDL Number

MFCD00002805

Purity

98%

Smiles

CCCCCCCCCCCCCCCCCCCCC(=O)O

Storage Conditions

Store at 2-8°C

Chemical Information

Heneicosanoic Acid

Henicosanoic acid is a long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a henicosanoate.

CAS Number	2363-71-5
PubChem CID	16898
IUPAC Name	henicosanoic acid
Molecular Formula	C21H42O2
Molecular Weight	326.6
XLogP	9.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Heavy Atom Count	23
Formal Charge	0
Complexity	238

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)

InChIKey

CKDDRHZIAZRDBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2363-71-5

CID: 16898

Formula: C21H42O2

MW: 326.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	326.6
XLogP3	9.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Exact Mass	326.318480578
Monoisotopic Mass	326.318480578
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Henicosanoic Acid

Chemical Information

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