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Tert-Butyl 3-hydroxypropanoate

CAT: 0804-HY-W047702Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W047702Size:1 Each
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Description
Tert-Butyl 3-hydroxypropanoate is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
59854-11-4
UNSPSC
12352211
Hazard Statement
H227, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.89
Smiles
O=C(OC(C)(C)C)CCO
Molecular Formula
C7H14O3
Molecular Weight
146.19
Precautions
H227, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

tert-Butyl 3-hydroxypropanoate
CAS Number59854-11-4
PubChem CID16218743
IUPAC Nametert-butyl 3-hydroxypropanoate
Molecular FormulaC7H14O3
Molecular Weight146.18
XLogP0.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity113
SMILES
CC(C)(C)OC(=O)CCO
InChI
InChI=1S/C7H14O3/c1-7(2,3)10-6(9)4-5-8/h8H,4-5H2,1-3H3
InChIKey
NSXCURRVJMPAPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-hydroxypropanoate
CAS: 59854-11-4
CID: 16218743
Formula: C7H14O3
MW: 146.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.18
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass146.094294304
Monoisotopic Mass146.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity113
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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