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Propargyl-PEG3-phosphonic acid

CAT: 0926-PTC13962-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-PTC13962-05Size:100 mg
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CAS Number
1714139-62-4
MDL Number
MFCD30182033
Smiles
C#CCOCCOCCOCCP (=O) (O) O
Molecular Formula
C9H17O6P
Molecular Weight
252.2 g/mol
Controlled
No

Chemical Information

Propargyl-PEG3-phosphonic acid
CAS Number1714139-62-4
PubChem CID123132122
IUPAC Name2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylphosphonic acid
Molecular FormulaC9H17O6P
Molecular Weight252.20
XLogP-1.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity252
SMILES
C#CCOCCOCCOCCP(=O)(O)O
InChI
InChI=1S/C9H17O6P/c1-2-3-13-4-5-14-6-7-15-8-9-16(10,11)12/h1H,3-9H2,(H2,10,11,12)
InChIKey
OUKZOEDGARPKKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG3-phosphonic acid
CAS: 1714139-62-4
CID: 123132122
Formula: C9H17O6P
MW: 252.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.20
XLogP3-1.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass252.07627526
Monoisotopic Mass252.07627526
Topological Polar Surface Area85.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity252
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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