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Bis (1-methyl-2-hydroxyethyl) Ether

CAT: 0024-sc-503834Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-503834Size:100 mg
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CAS Number
108-61-2

Chemical Information

2,2'-Oxydipropanol
CAS Number108-61-2
PubChem CID92739
IUPAC Name2-(1-hydroxypropan-2-yloxy)propan-1-ol
Molecular FormulaC6H14O3
Molecular Weight134.17
XLogP-0.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity57
SMILES
CC(CO)OC(C)CO
InChI
InChI=1S/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3
InChIKey
VMKMZRBPOSNUMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Oxydipropanol
CAS: 108-61-2
CID: 92739
Formula: C6H14O3
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass134.094294304
Monoisotopic Mass134.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity57.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes