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24571-19-5 | 1,3-Dioxane, 5,5-diethyl-2-methyl-2-phenyl-
CAS No: 24571-19-5 Catalog No: AG002OML MDL No:
Product Description
Catalog Number:
AG002OML
Chemical Name:
1,3-Dioxane, 5,5-diethyl-2-methyl-2-phenyl-
CAS Number:
24571-19-5
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
5,5-diethyl-2-methyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C15H22O2/c1-4-15(5-2)11-16-14(3,17-12-15)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChI Key:
WPCADHMLWADJDV-UHFFFAOYSA-N
SMILES:
CCC1(CC)COC(OC1)(C)c1ccccc1
NSC Number:
29494
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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