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3,7-Dioxa-1,9-nonanediol

CAT: 0024-sc-232161ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232161ASize:1 g
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CAS Number
67439-82-1

Chemical Information

3,7-Dioxa-1,9-nonanediol
CAS Number67439-82-1
PubChem CID9920467
IUPAC Name2-[3-(2-hydroxyethoxy)propoxy]ethanol
Molecular FormulaC7H16O4
Molecular Weight164.20
XLogP-1.1
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity59
SMILES
C(COCCO)COCCO
InChI
InChI=1S/C7H16O4/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2
InChIKey
KXSKAZFMTGADIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dioxa-1,9-nonanediol
CAS: 67439-82-1
CID: 9920467
Formula: C7H16O4
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass164.10485899
Monoisotopic Mass164.10485899
Topological Polar Surface Area58.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity59.5
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

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