Heptanoic acid, 3-oxo-, ethyl ester


Chemical Name: Heptanoic acid, 3-oxo-, ethyl ester
CAS Number: 7737-62-4
Product Number: AG003Q8I(AGN-PC-0JSVLA)
Synonyms:
MDL No:
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties


Properties
BP:
219.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Refractive Index:
1.4290 to 1.4320
Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1.6
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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