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Home > Other Heterocycles > 67963-09-1
67963-09-1 | 6,7-Dioxabicyclo[3.2.2]nona-2,8-diene
CAS No: 67963-09-1 Catalog No: AG0061NZ MDL No:
Product Description
Catalog Number:
AG0061NZ
Chemical Name:
6,7-Dioxabicyclo[3.2.2]nona-2,8-diene
CAS Number:
67963-09-1
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
6,7-dioxabicyclo[3.2.2]nona-2,8-diene
InChI:
InChI=1S/C7H8O2/c1-2-6-4-5-7(3-1)9-8-6/h1-2,4-7H,3H2
InChI Key:
HYYSOJRIVSFYTG-UHFFFAOYSA-N
SMILES:
C1=CC2OOC(C1)C=C2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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