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Hydroxy-PEG3-ethyl ester

CAT: 0127-BIPG1440-02Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1379649-80-5
MDL Number
MFCD22683283
Smiles
CCOC(=O)CCOCCOCCO
Storage Conditions
Store at 2-8°C

Chemical Information

Hydroxy-PEG3-ethyl ester
CAS Number1379649-80-5
PubChem CID77078487
IUPAC Nameethyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
Molecular FormulaC9H18O5
Molecular Weight206.24
XLogP-0.6
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity137
SMILES
CCOC(=O)CCOCCOCCO
InChI
InChI=1S/C9H18O5/c1-2-14-9(11)3-5-12-7-8-13-6-4-10/h10H,2-8H2,1H3
InChIKey
IZNHZTSKIYZKKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG3-ethyl ester
CAS: 1379649-80-5
CID: 77078487
Formula: C9H18O5
MW: 206.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.24
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass206.11542367
Monoisotopic Mass206.11542367
Topological Polar Surface Area65 Ų
Heavy Atom Count14
Formal Charge0
Complexity137
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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