CAS: 1694-31-1
이름: tert-butyl 3-oxobutanoate
SMILES:
CC(=O)CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C8H14O3
Molecular weight
158.2
Exact mass
158.0943
XLogP
1.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
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
0.75
Molar refractivity
41.14
Supplementary Information
InChIKey: JKUYRAMKJLMYLO-UHFFFAOYSA-N
동의어
tert-butyl acetoacetate1694-31-1tert-Butyl 3-oxobutanoatet-Butyl acetoacetateButanoic acid, 3-oxo-, 1,1-dimethylethyl esterAcetoacetic acid, tert-butyl estertert-Butyl 3-oxobutyrateAcetoacetic Acid tert-Butyl Estertert-Butyl OxobutyrateMFCD00008811t-butylacetoacetateTBAAtert-butylacetoacetateDTXSID40444021D3DOS61GX1,1-dimethylethyl acetoacetateNSC-42869Butyl acetoacetate, tert-UNII-1D3DOS61GXt-butyl acetoaceatetertbutylacetoacetateEINECS 216-904-5ter'-Butylacetoacetatet-Butyl-3-oxobutyratetert.-butyl acetoacetatetert-Butyl-3-oxobutyrateacetoacetate t-butyl estertertiary butyl acetoacetateEC 216-904-5acetoacetic tert-butyl ester
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