2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid


Chemical Name: 2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
CAS Number: 334887-43-3
Product Number: AG00C0BI(AGN-PC-0L3BPF)
Synonyms:
MDL No:
Molecular Formula: C12H20N2O4
Molecular Weight: 256.2982

Identification/Properties


Computed Properties
Molecular Weight:
256.302g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
256.142g/mol
Monoisotopic Mass:
256.142g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
352
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

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NMR Spectrum


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