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Home > Other Heterocycles > 158425-44-6
158425-44-6 | 2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(2-phenylethyl)-
CAS No: 158425-44-6 Catalog No: AG001Q74 MDL No:
Product Description
Catalog Number:
AG001Q74
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(2-phenylethyl)-
CAS Number:
158425-44-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
4-methyl-1-(2-phenylethyl)-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C14H18O3/c1-13-9-15-14(16-10-13,17-11-13)8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
PSUBDISQHJJEQQ-UHFFFAOYSA-N
SMILES:
CC12COC(OC1)(OC2)CCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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