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Home > Other Heterocycles > 286-48-6
286-48-6 | 3,5,8-Trioxabicyclo[5.1.0]octane
CAS No: 286-48-6 Catalog No: AG002VTQ MDL No:
Product Description
Catalog Number:
AG002VTQ
Chemical Name:
3,5,8-Trioxabicyclo[5.1.0]octane
CAS Number:
286-48-6
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
3,5,8-trioxabicyclo[5.1.0]octane
InChI:
InChI=1S/C5H8O3/c1-4-5(8-4)2-7-3-6-1/h4-5H,1-3H2
InChI Key:
XYYAFYBVUUMOTF-UHFFFAOYSA-N
SMILES:
O1COCC2C(C1)O2
Properties
Complexity:
83.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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