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Home > Other Heterocycles > 20583-51-1
20583-51-1 | 6,8-Dioxabicyclo[3.2.1]oct-3-ene
CAS No: 20583-51-1 Catalog No: AG007337 MDL No:
Product Description
Catalog Number:
AG007337
Chemical Name:
6,8-Dioxabicyclo[3.2.1]oct-3-ene
CAS Number:
20583-51-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
6,8-dioxabicyclo[3.2.1]oct-3-ene
InChI:
InChI=1S/C6H8O2/c1-2-5-4-7-6(3-1)8-5/h1,3,5-6H,2,4H2
InChI Key:
JCJNEKWEHDYPMD-UHFFFAOYSA-N
SMILES:
C1=CC2OC(C1)CO2
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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