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24571-15-1 | 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-phenyl-
CAS No: 24571-15-1 Catalog No: AG002OLA MDL No:
Product Description
Catalog Number:
AG002OLA
Chemical Name:
1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-phenyl-
CAS Number:
24571-15-1
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2-ethyl-5,5-dimethyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C14H20O2/c1-4-14(12-8-6-5-7-9-12)15-10-13(2,3)11-16-14/h5-9H,4,10-11H2,1-3H3
InChI Key:
NSXDRFMKVBIRFF-UHFFFAOYSA-N
SMILES:
CCC1(OCC(CO1)(C)C)c1ccccc1
NSC Number:
29502
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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