Docosanal

CAT: 0127-OR1102936-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102936-02Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

57402-36-5

MDL Number

MFCD07780595

Purity

95%

Smiles

CCCCCCCCCCCCCCCCCCCCCC=O

Chemical Information

Docosanal

docosanal has been reported in Solanum tuberosum and Hamamelis virginiana with data available.

CAS Number	57402-36-5
PubChem CID	3017068
IUPAC Name	docosanal
Molecular Formula	C22H44O
Molecular Weight	324.6
XLogP	10.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Heavy Atom Count	23
Formal Charge	0
Complexity	212

SMILES

CCCCCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3

InChIKey

ULCXRAFXRZTNRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57402-36-5

CID: 3017068

Formula: C22H44O

MW: 324.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.6
XLogP3	10.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Exact Mass	324.339216023
Monoisotopic Mass	324.339216023
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	212
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

Catalog	Name
TRC-D678865-500MG	n-Docosanal