3,3,3-trideuterio-2-[dideuterio-(3,4-dihydroxyphenyl)methyl]-2-hydrazinylpropanoic acid


Chemical Name: 3,3,3-trideuterio-2-[dideuterio-(3,4-dihydroxyphenyl)methyl]-2-hydrazinylpropanoic acid
CAS Number: 28860-95-9
Product Number: AG00I5DW(AGN-PC-07A1TF)
Synonyms:
MDL No: MFCD00069231
Molecular Formula: C10H14N2O4
Molecular Weight: 226.2292

Identification/Properties


Computed Properties
Molecular Weight:
226.232g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
226.095g/mol
Monoisotopic Mass:
226.095g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
261
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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