Heptanoic acid, 7-chloro-2-oxo-, ethyl ester


Chemical Name: Heptanoic acid, 7-chloro-2-oxo-, ethyl ester
CAS Number: 78834-75-0
Product Number: AG003QDU(AGN-PC-0KNXLV)
Synonyms:
MDL No:
Molecular Formula: C9H15ClO3
Molecular Weight: 206.6666

Identification/Properties


Properties
BP:
281.2°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4510 to 1.4560
Computed Properties
Molecular Weight:
206.666g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
206.071g/mol
Monoisotopic Mass:
206.071g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
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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