L-Aspartic acid, 1-(1,1-dimethylethyl) ester


Chemical Name: L-Aspartic acid, 1-(1,1-dimethylethyl) ester
CAS Number: 4125-93-3
Product Number: AG0039NQ(AGN-PC-0OAAQQ)
Synonyms:
MDL No:
Molecular Formula: C8H15NO4
Molecular Weight: 189.2090

Identification/Properties


Computed Properties
Molecular Weight:
189.211g/mol
XLogP3:
-2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
189.1g/mol
Monoisotopic Mass:
189.1g/mol
Topological Polar Surface Area:
89.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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

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NMR Spectrum


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