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87473-35-6 | 1,3-Dioxane,2-ethyl-4,4,6-trimethyl-
CAS No: 87473-35-6 Catalog No: AG004FNR MDL No:
Product Description
Catalog Number:
AG004FNR
Chemical Name:
1,3-Dioxane,2-ethyl-4,4,6-trimethyl-
CAS Number:
87473-35-6
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
2-ethyl-4,4,6-trimethyl-1,3-dioxane
InChI:
InChI=1S/C9H18O2/c1-5-8-10-7(2)6-9(3,4)11-8/h7-8H,5-6H2,1-4H3
InChI Key:
YSZNCAJEVNDWIO-UHFFFAOYSA-N
SMILES:
CCC1OC(C)CC(O1)(C)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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