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cyclooctane-1,5-dione

cyclooctane-1,5-dione

CAS: 1489-74-3

Formula: C8H12O2

SMILES: O=C1CCCC(=O)CCC1

IUPAC: cyclooctane-1,5-dione

InChI: InChI=1S/C8H12O2/c9-7-3-1-4-8(10)6-2-5-7/h1-6H2

Composition: C (68.55%), H (8.63%), O (22.83%)

Molar Mass: 140.182

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 140.083729626
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HNIJGYLFFVBUNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.09
Topological Polar Surface Area 34.14
Polarizability 14.89
Ring Count 1
Rotatable Bond Count 0

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