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2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione

2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione

CAS: 54135-60-3

Formula: C13H16O4

SMILES: O=C1CCCC(=O)C1CC1C(=O)CCCC1=O

IUPAC: 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione

InChI: InChI=1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2

Composition: C (66.09%), H (6.83%), O (27.09%)

Molar Mass: 236.267

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 236.104858995
Formal Charge 0
FSP3 0.69
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ILUMEPMGPCKGHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.63
Topological Polar Surface Area 68.28
Polarizability 23.57
Ring Count 2
Rotatable Bond Count 2

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