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5-Oxopentanoic acid

CAT: 0804-HY-W857147Size: 1 EachDry Ice: NoHazardous: No
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Description
5-Oxopentanoic acid is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
5746-02-1
UNSPSC
12352211
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CCCCC(=O)O
Molecular Formula
C5H8O3
Molecular Weight
116.12
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-Oxopentanoic acid

5-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 5-position. It is an oxopentanoic acid, an aldehydic acid and an omega-oxo fatty acid. It is a conjugate acid of a 5-oxopentanoate.

CAS Number5746-02-1
PubChem CID439963
IUPAC Name5-oxopentanoic acid
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP-0.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
C(CC=O)CC(=O)O
InChI
InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
InChIKey
VBKPPDYGFUZOAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Oxopentanoic acid
CAS: 5746-02-1
CID: 439963
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area54.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.7
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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