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Home > Other Heterocycles > 68778-95-0
68778-95-0 | 6,8-Dioxabicyclo[3.2.1]octane, (1S)-
CAS No: 68778-95-0 Catalog No: AG0061B7 MDL No:
Product Description
Catalog Number:
AG0061B7
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane, (1S)-
CAS Number:
68778-95-0
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
(1S)-6,8-dioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C6H10O2/c1-2-5-4-7-6(3-1)8-5/h5-6H,1-4H2/t5-,6?/m0/s1
InChI Key:
DYXJGWLSYLPWMO-ZBHICJROSA-N
SMILES:
C1CC2OC[C@H](C1)O2
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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