C1CC(=O)CCC1=O
CAS: 637-88-7
Nombre: cyclohexane-1,4-dione
SMILES: C1CC(=O)CCC1=O

Molecular Processing

Molecular formula
C6H8O2
Molecular weight
112.13
Exact mass
112.0524
XLogP
0.7
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
28.48

Supplementary Information

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N
Sinónimos
1,4-Cyclohexanedione637-88-7Cyclohexane-1,4-dioneTETRAHYDROQUINONE1,4-DioxocyclohexaneBJS27Z99AMNSC-7192DTXSID6060929CHEBI:28286RefChem:73177DTXCID5044071211-306-01,4-CyclohexandioneMFCD00001606Cyclohexan-1,4-dione1,4-Dioxocyclohexane; NSC 7192; Tetrahydroquinone;NSC 7192EINECS 211-306-01,4 cyclohexane dione1,4-cyclohexane-dioneAI3-22410cyclohexane-1,4-quinonebmse000513UNII-BJS27Z99AM1,4-Cyclohexanedione, 98%SCHEMBL150852orb3023663SCHEMBL3121766SCHEMBL7072723NSC7192
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