2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-, sodium salt (1:1)


Chemical Name: 2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-, sodium salt (1:1)
CAS Number: 127427-04-7
Product Number: AG000X2N(AGN-PC-0PIKJW)
Synonyms:
MDL No:
Molecular Formula: C12H13NaO5
Molecular Weight: 260.2184

Identification/Properties


Computed Properties
Molecular Weight:
260.221g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
260.066g/mol
Monoisotopic Mass:
260.066g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
268
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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