Benzeneacetic acid, 3,4,5-trimethoxy-


Chemical Name: Benzeneacetic acid, 3,4,5-trimethoxy-
CAS Number: 951-82-6
Product Number: AG0033I1(AGN-PC-0JL9ND)
Synonyms:
MDL No:
Molecular Formula: C11H14O5
Molecular Weight: 226.2259

Identification/Properties


Properties
MP:
117-120 °C
BP:
360.8 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5140 (estimate)
Computed Properties
Molecular Weight:
226.228g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
226.084g/mol
Monoisotopic Mass:
226.084g/mol
Topological Polar Surface Area:
65A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
216
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:
H315
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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