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24571-26-4 | 1,3-Dioxane, 5-ethyl-2,5-dimethyl-2-phenyl-
CAS No: 24571-26-4 Catalog No: AG002OMH MDL No:
Product Description
Catalog Number:
AG002OMH
Chemical Name:
1,3-Dioxane, 5-ethyl-2,5-dimethyl-2-phenyl-
CAS Number:
24571-26-4
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
5-ethyl-2,5-dimethyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C14H20O2/c1-4-13(2)10-15-14(3,16-11-13)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChI Key:
AVOLMNLLCMLSOJ-UHFFFAOYSA-N
SMILES:
CCC1(C)COC(OC1)(C)c1ccccc1
NSC Number:
38688
Properties
Complexity:
223
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:
3.1
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