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79889-22-8 | 1,2-Dioxane, 3,3-dimethyl-6-phenyl-
CAS No: 79889-22-8 Catalog No: AG004ZE3 MDL No:
Product Description
Catalog Number:
AG004ZE3
Chemical Name:
1,2-Dioxane, 3,3-dimethyl-6-phenyl-
CAS Number:
79889-22-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3,3-dimethyl-6-phenyldioxane
InChI:
InChI=1S/C12H16O2/c1-12(2)9-8-11(13-14-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChI Key:
DWXAPRRPFPBPJR-UHFFFAOYSA-N
SMILES:
CC1(C)CCC(OO1)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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