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Home > Other Heterocycles > 28481-03-0
28481-03-0 | Bicyclo[3.3.1]nona-3,7-diene-2,6-dione
CAS No: 28481-03-0 Catalog No: AG002VHK MDL No:
Product Description
Catalog Number:
AG002VHK
Chemical Name:
Bicyclo[3.3.1]nona-3,7-diene-2,6-dione
CAS Number:
28481-03-0
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
IUPAC Name:
bicyclo[3.3.1]nona-3,7-diene-2,6-dione
InChI:
InChI=1S/C9H8O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h1-4,6-7H,5H2
InChI Key:
FEKKORHLKPVNDZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2CC1C=CC2=O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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