CAS: 3859-41-4
Название: cyclopentane-1,3-dione
SMILES:
O=C1CCC(=O)C1Molecular Processing
Molecular formula
C5H6O2
Molecular weight
98.1
Exact mass
98.0368
XLogP
0.31
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
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
0.6
Molar refractivity
23.86
Supplementary Information
InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N
Синонимы
1,3-CyclopentanedioneCyclopentane-1,3-dione3859-41-4UNII-98107S5K06EINECS 223-372-8NSC-36401598107S5K06CHEBI:41456LOGSONSNCYTHPS-UHFFFAOYSA-DTXSID90191911NSC 364015Cyclopentane1,3dioneRefChem:72556DTXCID30114402InChI=1/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2LOGSONSNCYTHPS-UHFFFAOYSA-N1,3-CyclopentadioneMFCD000014051,3-Cyclopentadione; NSC 3640151.3-CYCLOPENTANEDIONE1,3cyclopentadione1,3 cyclopentadione1,3-cyclopentandionecyclopentan-1,3-dione1,3-cyclopentane dionecyclopentane-1,3-quinoneSCHEMBL73117CEJSCHEMBL1337121,3-Cyclopentanedione, 97%
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