C1CC(=O)CC(=O)C1
CAS: 504-02-9
Name: cyclohexane-1,3-dione
SMILES: C1CC(=O)CC(=O)C1

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: HJSLFCCWAKVHIW-UHFFFAOYSA-N
Synonyme
1,3-Cyclohexanedione504-02-9CYCLOHEXANE-1,3-DIONEDihydroresorcinolHydroresorcinolResorcinol, dihydro-DTXSID10444336UK3D2BXJTNSC-57477DTXCID9024433CHEBI:17766RefChem:72549207-980-01,3-Cyclohexandione1,3 Cyclohexanedione1,3-CyclohexanoneMFCD000015851,3-Benzenediol, dihydro-cyclohexane-1,3-quinoneCyclohexane-1,3-dione; Dihydroresorcinol1,3-cyclohexane dioneUNII-6UK3D2BXJTcyclohexan-11, dihydro-1,3-cyclohexandionEINECS 207-980-0NSC 574771,3 cyclohexandione1,3-cylohexanedione1.3-cyclohexanedione
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