CAS: 105-45-3
이름: methyl 3-oxobutanoate
SMILES:
CC(=O)CC(=O)OCMolecular Processing
Molecular formula
C5H8O3
Molecular weight
116.12
Exact mass
116.0473
XLogP
0.14
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
8
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
0.6
Molar refractivity
27.31
Supplementary Information
InChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-N
동의어
METHYL ACETOACETATEMethyl 3-oxobutanoate105-45-3MethylacetoacetateMethyl acetylacetateAcetoacetic acid methyl esterMethyl 3-oxobutyrate3-Oxobutanoic acid methyl esterMethyl acetylacetonateButanoic acid, 3-oxo-, methyl esterAcetoacetic methyl ester1-Methoxybutane-1,3-dioneAcetoacetic acid, methyl esterMethylester kyseliny acetoctoveDTXSID9026716CW4I82QAX1DTXCID706716RefChem:817587203-299-8Methylacetoacetic acidMFCD000087843-Oxobutyric Acid Methyl Ester3-oxo-Butanoic acid methyl ester3-oxo-butyric acid methyl esterCHEMBL3186053CCRIS 2302HSDB 1083EINECS 203-299-8UNII-CW4I82QAX1Methylester kyseliny acetoctove [Czech]
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