CCC(=O)C(=O)[O-]
Nom: 2-oxobutanoate
SMILES: CCC(=O)C(=O)[O-]

Molecular Processing

Molecular formula
C4H5O3-
Molecular weight
101.08
Exact mass
101.0244
XLogP
-1.28
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
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
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
20.3

Supplementary Information

InChIKey: TYEYBOSBBBHJIV-UHFFFAOYSA-M
Synonymes
2-ketobutyrateRefChem:909980Ethyl glyoxalate, 50% in toluene2-Ketobutanoateethylglyoxylateethylglyoxalate2-oxobutanate2uynC4H5O3-TYEYBOSBBBHJIV-UHFFFAOYSA-MBDBM50273975AKOS024437973DB-002808Q27102062
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Impliqué dans 63 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→