Carbamic acid, [(3S)-2-oxo-3-oxetanyl]-, phenylmethyl ester


Chemical Name: Carbamic acid, [(3S)-2-oxo-3-oxetanyl]-, phenylmethyl ester
CAS Number: 26054-60-4
Product Number: AG002RJ5(AGN-PC-0O8D5W)
Synonyms:
MDL No:
Molecular Formula: C11H11NO4
Molecular Weight: 221.2093

Identification/Properties


Properties
MP:
129-130°C
BP:
425.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-25.5 ° (C=1, CH3CN)
Computed Properties
Molecular Weight:
221.212g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
221.069g/mol
Monoisotopic Mass:
221.069g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
273
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


NMR Spectrum


Other Analytical Data


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