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Ethyl 2- (3-hydroxycyclobutyl) acetate

CAT: 0804-HY-W057683Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W057683Size:1 Each
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Description
Ethyl 2- (3-hydroxycyclobutyl) acetate is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1408075-22-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(OCC)CC1CC(O)C1
Molecular Formula
C8H14O3
Molecular Weight
158.20
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

Ethyl 2-(3-hydroxycyclobutyl)acetate
CAS Number1408075-22-8
PubChem CID72207861
IUPAC Nameethyl 2-(3-hydroxycyclobutyl)acetate
Molecular FormulaC8H14O3
Molecular Weight158.19
XLogP0.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
CCOC(=O)CC1CC(C1)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(10)5-6-3-7(9)4-6/h6-7,9H,2-5H2,1H3
InChIKey
AVEZUPSKZQQURH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(3-hydroxycyclobutyl)acetate
CAS: 1408075-22-8
CID: 72207861
Formula: C8H14O3
MW: 158.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.19
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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