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Home > Other Heterocycles > 652161-28-9
652161-28-9 | 2,7,8-Trioxabicyclo[3.2.1]octane, 1-(2-phenylethyl)-
CAS No: 652161-28-9 Catalog No: AG00H6O8 MDL No:
Product Description
Catalog Number:
AG00H6O8
Chemical Name:
2,7,8-Trioxabicyclo[3.2.1]octane, 1-(2-phenylethyl)-
CAS Number:
652161-28-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
1-(2-phenylethyl)-2,7,8-trioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C13H16O3/c1-2-4-11(5-3-1)6-8-13-14-9-7-12(16-13)10-15-13/h1-5,12H,6-10H2
InChI Key:
QCUMDAGWIYWCIG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCC12OCCC(O2)CO1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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