CAS: 431-03-8
名称: butane-2,3-dione
SMILES:
CC(=O)C(=O)CMolecular Processing
Molecular formula
C4H6O2
Molecular weight
86.09
Exact mass
86.0368
XLogP
0.16
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
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
0.5
Molar refractivity
21.36
Supplementary Information
InChIKey: QSJXEFYPDANLFS-UHFFFAOYSA-N
同義語
2,3-butanedionediacetylbiacetylButane-2,3-dione431-03-8dimethylglyoxalButanedionedimethyl diketoneDimethyl glyoxal2,3-diketobutane2,3-dioxobutane2,3-ButadioneGlyoxal, dimethyl-2,3-butandioneFEMA No. 2370DTXSID6021583AI3-03313K324J5K4HMNSC-8750DTXCID701583CHEBI:16583Diketobutane2,3 ButanedioneRefChem:132552207-069-8butadioneDiacetyl (natural)Butan-2,3-dioneCCRIS 827MFCD00008756
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