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Home > Other Heterocycles > 113503-25-6
113503-25-6 | Spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]-2',7-dione
CAS No: 113503-25-6 Catalog No: AG0008SO MDL No:
Product Description
Catalog Number:
AG0008SO
Chemical Name:
Spiro[bicyclo[3.2.0]heptane-6,1'-cyclohexane]-2',7-dione
CAS Number:
113503-25-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
spiro[bicyclo[3.2.0]heptane-7,2'-cyclohexane]-1',6-dione
InChI:
InChI=1S/C12H16O2/c13-10-6-1-2-7-12(10)9-5-3-4-8(9)11(12)14/h8-9H,1-7H2
InChI Key:
DORFOOBNWFJWDG-UHFFFAOYSA-N
SMILES:
O=C1CCCCC21C(=O)C1C2CCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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