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TCO-PEG4-acid

CAT: 0926-CXC91321-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-CXC91321-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802913-21-8
MDL Number
MFCD28334565
Smiles
C1CC=CCCC (C1) OC (=O) NCCOCCOCCOCCOCCC (=O) O
Molecular Formula
C20H35NO8
Molecular Weight
417.5 g/mol
Controlled
No

Chemical Information

TCO-PEG4-Acid
CAS Number1802913-21-8
PubChem CID145708536
IUPAC Name3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC20H35NO8
Molecular Weight417.5
XLogP1.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count29
Formal Charge0
Complexity458
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C20H35NO8/c22-19(23)8-10-25-12-14-27-16-17-28-15-13-26-11-9-21-20(24)29-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17H2,(H,21,24)(H,22,23)/b2-1-
InChIKey
PSNKSDUNMXNXDE-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG4-Acid
CAS: 1802913-21-8
CID: 145708536
Formula: C20H35NO8
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass417.23626707
Monoisotopic Mass417.23626707
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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