CC(=O)CC(=O)O
CAS: 541-50-4
الاسم: 3-oxobutanoic acid
SMILES: CC(=O)CC(=O)O

Molecular Processing

Molecular formula
C4H6O3
Molecular weight
102.09
Exact mass
102.0317
XLogP
0.05
TPSA
54.37
H-bond donors
1
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
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
22.93

Supplementary Information

InChIKey: WDJHALXBUFZDSR-UHFFFAOYSA-N
مرادفات
acetoacetic acid3-oxobutanoic acid541-50-43-oxobutyric acidbeta-ketobutyric aciddiacetic acidButanoic acid, 3-oxo-3-Ketobutyric acid3-oxo-butanoic acid3-ketobutanoic acid4ZI204Y1MCCHEBI:15344DTXSID00202441RefChem:5508DTXCID001249323-ketobutyrateAcetoacitic acidacetylacetic aciddiacetate3-OXO-BUTYRIC ACID4387-93-33-oxobutanate3-oxobutanoicacidAAEacetonecarboxylic acidUNII-4ZI204Y1MC3-Oxobutyratelithium-acetoacetateNicardipine Impurity 55SCHEMBL6620
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