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78795-52-5 | 1,3-Dioxane, 2-ethoxy-4,4-dimethyl-
CAS No: 78795-52-5 Catalog No: AG005DHL MDL No:
Product Description
Catalog Number:
AG005DHL
Chemical Name:
1,3-Dioxane, 2-ethoxy-4,4-dimethyl-
CAS Number:
78795-52-5
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
2-ethoxy-4,4-dimethyl-1,3-dioxane
InChI:
InChI=1S/C8H16O3/c1-4-9-7-10-6-5-8(2,3)11-7/h7H,4-6H2,1-3H3
InChI Key:
LALPKNIVNHXEOB-UHFFFAOYSA-N
SMILES:
CCOC1OCCC(O1)(C)C
Properties
Complexity:
123
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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