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878-57-9 | 1,3-Dioxane,2-methyl-2-phenyl-
CAS No: 878-57-9 Catalog No: AG004JF1 MDL No:
Product Description
Catalog Number:
AG004JF1
Chemical Name:
1,3-Dioxane,2-methyl-2-phenyl-
CAS Number:
878-57-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-methyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C11H14O2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI Key:
LRWANTYTQLCKAR-UHFFFAOYSA-N
SMILES:
CC1(OCCCO1)c1ccccc1
NSC Number:
71460
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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