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19-Methoxy-19-oxononadecanoic acid

CAT: 0804-HY-W460257Size: 1 EachDry Ice: NoHazardous: No
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Description
19-Methoxy-19-oxononadecanoic acid is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
72849-43-5
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)CCCCCCCCCCCCCCCCCC(=O)OC
Molecular Formula
C20H38O4
Molecular Weight
342.52
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

19-Methoxy-19-oxononadecanoic acid
CAS Number72849-43-5
PubChem CID12572013
IUPAC Name19-methoxy-19-oxononadecanoic acid
Molecular FormulaC20H38O4
Molecular Weight342.5
XLogP7.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity302
SMILES
COC(=O)CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H38O4/c1-24-20(23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h2-18H2,1H3,(H,21,22)
InChIKey
FFKBIYWNBSOIEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 19-Methoxy-19-oxononadecanoic acid
CAS: 72849-43-5
CID: 12572013
Formula: C20H38O4
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass342.27700969
Monoisotopic Mass342.27700969
Topological Polar Surface Area63.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity302
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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