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168276-75-3 | 1,3-Dioxane, 4-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 168276-75-3 Catalog No: AG001XZB MDL No:
Product Description
Catalog Number:
AG001XZB
Chemical Name:
1,3-Dioxane, 4-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
168276-75-3
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
4-(4-tert-butylphenyl)-1,3-dioxane
InChI:
InChI=1S/C14H20O2/c1-14(2,3)12-6-4-11(5-7-12)13-8-9-15-10-16-13/h4-7,13H,8-10H2,1-3H3
InChI Key:
ZVHWZONSRMTBNC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1CCOCO1)(C)C
Properties
Complexity:
211
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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