Benzenebutanoic acid, a,2-diamino-g-oxo-


Chemical Name: Benzenebutanoic acid, a,2-diamino-g-oxo-
CAS Number: 343-65-7
Product Number: AG00BYZG(AGN-PC-0R9QGA)
Synonyms:
MDL No:
Molecular Formula: C10H12N2O3
Molecular Weight: 208.2139

Identification/Properties


Computed Properties
Molecular Weight:
208.217g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
208.085g/mol
Monoisotopic Mass:
208.085g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
255
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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