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19-Methyleicosanoic acid

CAT: 0804-HY-W127525Size: 1 EachDry Ice: NoHazardous: No
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Description
19-methyleicosanoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
59708-73-5
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/19-methyleicosanoic-acid.html
Solubility
10 mM in DMSO
Smiles
CC(C)CCCCCCCCCCCCCCCCCC(O)=O
Molecular Formula
C21H42O2
Molecular Weight
326.56
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

19-Methyleicosanoic acid

19-Methyleicosanoic acid has been reported in Chondrosia reniformis, Monascus purpureus, and other organisms with data available.

CAS Number59708-73-5
PubChem CID3632876
IUPAC Name19-methylicosanoic acid
Molecular FormulaC21H42O2
Molecular Weight326.6
XLogP8.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity248
SMILES
CC(C)CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey
BDGYZTCVQAZQFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 19-Methyleicosanoic acid
CAS: 59708-73-5
CID: 3632876
Formula: C21H42O2
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
XLogP38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass326.318480578
Monoisotopic Mass326.318480578
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity248
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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