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139396-09-1 | 1,3-Dioxane, 5-pentyl-2-phenyl-, trans-
CAS No: 139396-09-1 Catalog No: AG001AXS MDL No:
Product Description
Catalog Number:
AG001AXS
Chemical Name:
1,3-Dioxane, 5-pentyl-2-phenyl-, trans-
CAS Number:
139396-09-1
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
5-pentyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C15H22O2/c1-2-3-5-8-13-11-16-15(17-12-13)14-9-6-4-7-10-14/h4,6-7,9-10,13,15H,2-3,5,8,11-12H2,1H3
InChI Key:
BQVAPGXOSXERCM-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CO[C@H](OC1)c1ccccc1
Properties
Complexity:
191
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:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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