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Home > Other Heterocycles > 71021-22-2
71021-22-2 | 2,8,9-TRIOXABICYCLO[4.2.1]NON-4-EN-3-ONE
CAS No: 71021-22-2 Catalog No: AG0061J3 MDL No:
Product Description
Catalog Number:
AG0061J3
Chemical Name:
2,8,9-TRIOXABICYCLO[4.2.1]NON-4-EN-3-ONE
CAS Number:
71021-22-2
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
IUPAC Name:
2,8,9-trioxabicyclo[4.2.1]non-4-en-3-one
InChI:
InChI=1S/C6H6O4/c7-5-2-1-4-3-8-6(9-4)10-5/h1-2,4,6H,3H2
InChI Key:
CNCORSFTRQBDJQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2OC(O1)OC2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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