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Home > Other Heterocycles > 39984-91-3
39984-91-3 | Spiro[4.4]nonane-1,4-dione
CAS No: 39984-91-3 Catalog No: AG0076E9 MDL No:MFCD24688731
Product Description
Catalog Number:
AG0076E9
Chemical Name:
Spiro[4.4]nonane-1,4-dione
CAS Number:
39984-91-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD24688731
IUPAC Name:
spiro[4.4]nonane-1,4-dione
InChI:
InChI=1S/C9H12O2/c10-7-3-4-8(11)9(7)5-1-2-6-9/h1-6H2
InChI Key:
KEVJXYMHFRHZMI-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C21CCCC2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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