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3,6,9-Trioxaundecanedioic Acid

CAT: 1568-C08137-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C08137-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13887-98-4
Target
PROTAC Linker
Applications
Others
Smiles
C (COCC (=O) O) OCCOCC (=O) O
Molecular Formula
C8H14O7
Additionnal Information
3,6,9-Trioxaundecanedioic acid is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.
Storage Conditions
3 years -20°C powder

Chemical Information

3,6,9-Trioxaundecanedioic acid
CAS Number13887-98-4
PubChem CID83793
IUPAC Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
Molecular FormulaC8H14O7
Molecular Weight222.19
XLogP-1
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity171
SMILES
C(COCC(=O)O)OCCOCC(=O)O
InChI
InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
HJZZQNLKBWJYPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6,9-Trioxaundecanedioic acid
CAS: 13887-98-4
CID: 83793
Formula: C8H14O7
MW: 222.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.19
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass222.07395278
Monoisotopic Mass222.07395278
Topological Polar Surface Area102 Ų
Heavy Atom Count15
Formal Charge0
Complexity171
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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Alternative Products

CatalogName
GTR19216001-013,6,9-Trioxaundecanedioic Acid
OR1047450-01[9,9'-Bicarbazole]-3,3',6,6'-tetracarboxylic acid
PC2972-01Perfluoro-3,6,9-trioxadecanoic acid
sc-264019Perfluoro-3,6,9-trioxatridecanoic acid
OR1023649-0111-Azido-3,6,9-Trioxaundecanoic Acid
GTR19243095-019-epi-6-Methoxygeniposidic acid
OR1010828-013,6,9,12-Tetrakis (Carboxymethyl) -3,6,9,12-Tetraazatetradecane-1,14-Dioic Acid
JWC25565-016-Oxaspiro[3.5]nonane-9-carboxylic acid
OR1052156-0114- (Tosyloxy) -3,6,9,12-tetraoxatetradecanoic acid
JH91461014-azido-3,6,9,12-tetraoxatetradecanoic acid

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