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24571-27-5 | 1,3-Dioxane, 2,4,5,5-tetramethyl-2-phenyl-
CAS No: 24571-27-5 Catalog No: AG002OMG MDL No:
Product Description
Catalog Number:
AG002OMG
Chemical Name:
1,3-Dioxane, 2,4,5,5-tetramethyl-2-phenyl-
CAS Number:
24571-27-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2,4,5,5-tetramethyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C14H20O2/c1-11-13(2,3)10-15-14(4,16-11)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChI Key:
AVEBODFQJTWHCJ-UHFFFAOYSA-N
SMILES:
CC1OC(C)(OCC1(C)C)c1ccccc1
NSC Number:
38158
Properties
Complexity:
243
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:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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