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Methyl 6-hydroxyhexanoate

CAT: 0013-GTR19276497-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276497-01Size:50 mg
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Description
Methyl 6-hydroxyhexanoate is a PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
4547-43-7
Smiles
O=C (OC) CCCCCO
Molecular Formula
C7H14O3
Molecular Weight
146.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hexanoic acid, 6-hydroxy-, methyl ester
CAS Number4547-43-7
PubChem CID3083855
IUPAC Namemethyl 6-hydroxyhexanoate
Molecular FormulaC7H14O3
Molecular Weight146.18
XLogP0.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity90
SMILES
COC(=O)CCCCCO
InChI
InChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey
YDJZXHZRXDLCEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexanoic acid, 6-hydroxy-, methyl ester
CAS: 4547-43-7
CID: 3083855
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 Count6
Exact Mass146.094294304
Monoisotopic Mass146.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.9
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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CatalogName
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sc-353697AMethyl (2R,5R) -2- (benzoylamino) -6,6-difluoro-5-hydroxyhexanoate
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