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2- (Hydroxymethyl) -18-crown 6-ether

CAT: 0127-OR72922Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR72922Size:1 Each
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CAS Number
70069-04-4
MDL Number
MFCD00188046
Purity
95%
Smiles
OCC1COCCOCCOCCOCCOCCO1

Chemical Information

1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanol
CAS Number70069-04-4
PubChem CID3611393
IUPAC Name1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol
Molecular FormulaC13H26O7
Molecular Weight294.34
XLogP-1.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity203
SMILES
C1COCCOCCOC(COCCOCCO1)CO
InChI
InChI=1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2
InChIKey
HFRGASADQCZXHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanol
CAS: 70069-04-4
CID: 3611393
Formula: C13H26O7
MW: 294.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.34
XLogP3-1.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass294.16785316
Monoisotopic Mass294.16785316
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2380872-Hydroxymethyl-18-crown-6
GTR19278866-0119-hydroxy-18-{[3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxy}icosanoic acid
GTR19279012-012-[ (19-amino-2,18-dihydroxyicosan-3-yl) oxy]-6- (hydroxymethyl) oxane-3,4,5-triol
27395735-25g18-Crown-6-Ether
50301618‐CROWN‐6‐ETHER
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