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3-[2- (3-Hydroxypropoxy) ethoxy]propan-1-ol

CAT: 0127-OR1037556-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1037556-01Size:250 mg
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CAS Number
92144-80-4
MDL Number
MFCD32706535
Purity
98%
Smiles
OCCCOCCOCCCO

Chemical Information

3-[2-(3-Hydroxypropoxy)ethoxy]propan-1-ol
CAS Number92144-80-4
PubChem CID176217
IUPAC Name3-[2-(3-hydroxypropoxy)ethoxy]propan-1-ol
Molecular FormulaC8H18O4
Molecular Weight178.23
XLogP-0.7
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity67
SMILES
C(CO)COCCOCCCO
InChI
InChI=1S/C8H18O4/c9-3-1-5-11-7-8-12-6-2-4-10/h9-10H,1-8H2
InChIKey
JPZKLYYSRLFPCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-(3-Hydroxypropoxy)ethoxy]propan-1-ol
CAS: 92144-80-4
CID: 176217
Formula: C8H18O4
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass178.12050905
Monoisotopic Mass178.12050905
Topological Polar Surface Area58.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity67.5
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