Alanine,N-acetyl-3-(2-carboxypropyl)thio]- (7CI)


Chemical Name: Alanine,N-acetyl-3-(2-carboxypropyl)thio]- (7CI)
CAS Number: 910898-81-6
Product Number: AG00GXRH(AGN-PC-0VRNN4)
Synonyms:
MDL No:
Molecular Formula: C9H15NO5S
Molecular Weight: 249.2841

Identification/Properties


Computed Properties
Molecular Weight:
249.281g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
249.067g/mol
Monoisotopic Mass:
249.067g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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