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116141-68-5 | 1,3-Dioxane-2-ethanol, 5,5-dimethyl-
CAS No: 116141-68-5 Catalog No: AG000BQ0 MDL No:
Product Description
Catalog Number:
AG000BQ0
Chemical Name:
1,3-Dioxane-2-ethanol, 5,5-dimethyl-
CAS Number:
116141-68-5
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol
InChI:
InChI=1S/C8H16O3/c1-8(2)5-10-7(3-4-9)11-6-8/h7,9H,3-6H2,1-2H3
InChI Key:
HYGOOWUTSBFURW-UHFFFAOYSA-N
SMILES:
OCCC1OCC(CO1)(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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