CC(=O)CC(=O)C
CAS: 123-54-6
Nom: pentane-2,4-dione
SMILES: CC(=O)CC(=O)C

Molecular Processing

Molecular formula
C5H8O2
Molecular weight
100.12
Exact mass
100.0524
XLogP
0.55
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
25.98

Supplementary Information

InChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-N
Synonymes
Acetylacetone2,4-PentanedionePentane-2,4-dione123-54-62,4-DioxopentaneAcetoacetoneDiacetylmethaneACACPentanedioneACETYL ACETONEPentan-2,4-dionePentanedione-2,4Acetyl 2-propanoneAcetone, acetyl-Hacac2-Propanone, acetyl-DTXSID402197946R950BP4JNSC-5575DTXCID601979CHEBI:14750RefChem:5511204-634-02,4-Pentadione2,4-Pentandioneacetylacetonacetyl-acetoneNSC 5575CH3COCH2COCH3MFCD00008787
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Recherche Etendue

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