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24571-28-6 | 1,3-Dioxane, 5-ethyl-5-methyl-2-phenyl-
CAS No: 24571-28-6 Catalog No: AG002OMF MDL No:
Product Description
Catalog Number:
AG002OMF
Chemical Name:
1,3-Dioxane, 5-ethyl-5-methyl-2-phenyl-
CAS Number:
24571-28-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
5-ethyl-5-methyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C13H18O2/c1-3-13(2)9-14-12(15-10-13)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChI Key:
MBKJEZDFMQCTFU-UHFFFAOYSA-N
SMILES:
CCC1(C)COC(OC1)c1ccccc1
NSC Number:
38164
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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