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780-85-8 | 5,5-DIETHYL-2-PHENYL-1,3-DIOXANE
CAS No: 780-85-8 Catalog No: AG005DMU MDL No:
Product Description
Catalog Number:
AG005DMU
Chemical Name:
5,5-DIETHYL-2-PHENYL-1,3-DIOXANE
CAS Number:
780-85-8
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
5,5-diethyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C14H20O2/c1-3-14(4-2)10-15-13(16-11-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChI Key:
YGWYPRIDROYZLZ-UHFFFAOYSA-N
SMILES:
CCC1(CC)COC(OC1)c1ccccc1
NSC Number:
29488
Properties
Complexity:
195
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:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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