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Home > Other Heterocycles > 65651-81-2
65651-81-2 | 2,3,5-Trioxabicyclo[2.2.2]oct-7-en-6-one
CAS No: 65651-81-2 Catalog No: AG006Q67 MDL No:
Product Description
Catalog Number:
AG006Q67
Chemical Name:
2,3,5-Trioxabicyclo[2.2.2]oct-7-en-6-one
CAS Number:
65651-81-2
Molecular Formula:
C5H4O4
Molecular Weight:
128.0829
IUPAC Name:
2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one
InChI:
InChI=1S/C5H4O4/c6-5-3-1-2-4(7-5)9-8-3/h1-4H
InChI Key:
VRICAAGEANIOQC-UHFFFAOYSA-N
SMILES:
O=C1OC2OOC1C=C2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.011g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.083g/mol
Monoisotopic Mass:
128.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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