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89444-39-3 | 1,2-Dioxane, 3,6-dimethyl-3,6-diphenyl-
CAS No: 89444-39-3 Catalog No: AG0043F6 MDL No:
Product Description
Catalog Number:
AG0043F6
Chemical Name:
1,2-Dioxane, 3,6-dimethyl-3,6-diphenyl-
CAS Number:
89444-39-3
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
3,6-dimethyl-3,6-diphenyldioxane
InChI:
InChI=1S/C18H20O2/c1-17(15-9-5-3-6-10-15)13-14-18(2,20-19-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChI Key:
SWOWEUUSJVQCKF-UHFFFAOYSA-N
SMILES:
CC1(CCC(OO1)(C)c1ccccc1)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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