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Home > Other Heterocycles > 893411-52-4
893411-52-4 | Spiro[2.5]octane-5,7-dione
CAS No: 893411-52-4 Catalog No: AG003ZEA MDL No:MFCD11100381
Product Description
Catalog Number:
AG003ZEA
Chemical Name:
Spiro[2.5]octane-5,7-dione
CAS Number:
893411-52-4
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD11100381
IUPAC Name:
spiro[2.5]octane-5,7-dione
InChI:
InChI=1S/C8H10O2/c9-6-3-7(10)5-8(4-6)1-2-8/h1-5H2
InChI Key:
ILINANKAWQCKOG-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC2(C1)CC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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