Benzenebutanoic acid, a,g-dioxo-, ethyl ester


Chemical Name: Benzenebutanoic acid, a,g-dioxo-, ethyl ester
CAS Number: 6296-54-4
Product Number: AG003QBM(AGN-PC-0T6O6F)
Synonyms:
MDL No:
Molecular Formula: C12H12O4
Molecular Weight: 220.2213

Identification/Properties


Properties
MP:
36-41°C
BP:
348.5±25.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
220.224g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
220.074g/mol
Monoisotopic Mass:
220.074g/mol
Topological Polar Surface Area:
60.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
277
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


Request for Quotation


Customer Feedback