Benzo[b]thiophene-3-propanoic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-


Chemical Name: Benzo[b]thiophene-3-propanoic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
CAS Number: 111082-76-9
Product Number: AG003OG0(AGN-PC-0P1KIO)
Synonyms:
MDL No:
Molecular Formula: C16H19NO4S
Molecular Weight: 321.3914

Identification/Properties


Properties
MP:
63-67℃(Solv: ethanol (64-17-5))
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
321.391g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
321.103g/mol
Monoisotopic Mass:
321.103g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
421
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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