CAS: 13865-19-5
이름: methyl 4-oxobutanoate
SMILES:
COC(=O)CCC=OMolecular 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
3
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: DLZVZNAPRCRXEG-UHFFFAOYSA-N
동의어
Methyl 4-oxobutanoate13865-19-5Methyl 4-oxobutyrateEINECS 237-611-9DTXSID20160736RefChem:816569DTXCID3083227237-611-94-OXOBUTANOIC ACID METHYL ESTER4-oxo-butyric acid methyl estermethyl-4-oxobutanoateMFCD00082185Butanoic acid, 4-oxo-, methyl esterMethyl 4-oxobutanoate (~85%)4-oxobutyric acid methyl estermethyl 3-formylpropionateMethyl4-oxobutanoateBeraprost Impurity 47UVT6EYC4N33-carbomethoxypropionaldehydeMethyl 4-oxobutanoate, 90%SCHEMBL242764SCHEMBL892876orb3022137SCHEMBL6955826Succinaldehydic acid, methyl ester3-formyl-propionic acid methyl esterTYD-01882AKOS005137977AS-37953
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