5-Hexynoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-


Chemical Name: 5-Hexynoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
CAS Number: 270596-47-9
Product Number: AG003OF3(AGN-PC-0R2XZO)
Synonyms:
MDL No:
Molecular Formula: C11H17NO4
Molecular Weight: 227.2570

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
227.26g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
227.116g/mol
Monoisotopic Mass:
227.116g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
308
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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