Butanoic acid, 3-oxo-, 2-methoxyethyl ester


Chemical Name: Butanoic acid, 3-oxo-, 2-methoxyethyl ester
CAS Number: 22502-03-0
Product Number: AG003HK4(AGN-PC-0JLY6Z)
Synonyms:
MDL No: MFCD00009648
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
BP:
228.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.434(lit.)
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
141
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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