Propanoic acid, 3-(1,1-dimethylethoxy)-2-isocyanato-, methyl ester,(2S)-


Chemical Name: Propanoic acid, 3-(1,1-dimethylethoxy)-2-isocyanato-, methyl ester,(2S)-
CAS Number: 145080-94-0
Product Number: AG001KJG(AGN-PC-0PWKXP)
Synonyms:
MDL No:
Molecular Formula: C9H15NO4
Molecular Weight: 201.2197

Identification/Properties


Properties
Refractive Index:
14 ° (C=neat)
Computed Properties
Molecular Weight:
201.222g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
201.1g/mol
Monoisotopic Mass:
201.1g/mol
Topological Polar Surface Area:
65A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
238
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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