Pentanoic acid, 4-oxo-, butyl ester


Chemical Name: Pentanoic acid, 4-oxo-, butyl ester
CAS Number: 2052-15-5
Product Number: AG0029XV(AGN-PC-0JKCTJ)
Synonyms:
MDL No:
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties


Properties
BP:
240.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Refractive Index:
n20/D 1.427(lit.)
Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
172.11g/mol
Monoisotopic Mass:
172.11g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
152
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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