Benzenepropanoic acid, 3,4-dimethoxy-b-oxo-, ethyl ester


Chemical Name: Benzenepropanoic acid, 3,4-dimethoxy-b-oxo-, ethyl ester
CAS Number: 4687-37-0
Product Number: AG003Q6K(AGN-PC-0RUP3E)
Synonyms:
MDL No:
Molecular Formula: C13H16O5
Molecular Weight: 252.2631

Identification/Properties


Properties
MP:
37-41 °C(lit.)
BP:
350.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
252.266g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
252.1g/mol
Monoisotopic Mass:
252.1g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
289
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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