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28808-16-4 | 1,3-Dioxane, 5-methoxy-2-(1-methylethyl)-, cis-
CAS No: 28808-16-4 Catalog No: AG002WLE MDL No:
Product Description
Catalog Number:
AG002WLE
Chemical Name:
1,3-Dioxane, 5-methoxy-2-(1-methylethyl)-, cis-
CAS Number:
28808-16-4
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
5-methoxy-2-propan-2-yl-1,3-dioxane
InChI:
InChI=1S/C8H16O3/c1-6(2)8-10-4-7(9-3)5-11-8/h6-8H,4-5H2,1-3H3
InChI Key:
AUTMNHMCKUWMLE-UHFFFAOYSA-N
SMILES:
CO[C@@H]1CO[C@@H](OC1)C(C)C
Properties
Complexity:
106
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:
0
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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