Gallocatechin gallate


Chemical Name: Gallocatechin gallate
CAS Number: 4233-96-9
Product Number: AG003A1D(AGN-PC-0WAJBF)
Synonyms:
MDL No:
Molecular Formula: C22H18O11
Molecular Weight: 458.3717

Identification/Properties


Computed Properties
Molecular Weight:
458.375g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
4
Exact Mass:
458.085g/mol
Monoisotopic Mass:
458.085g/mol
Topological Polar Surface Area:
197A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
667
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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