D-Aspartic acid, 4-(phenylmethyl) ester


Chemical Name: D-Aspartic acid, 4-(phenylmethyl) ester
CAS Number: 13188-89-1
Product Number: AG000ZVT(AGN-PC-0O10XG)
Synonyms:
MDL No:
Molecular Formula: C11H12NO4-
Molecular Weight: 222.2173

Identification/Properties


Computed Properties
Molecular Weight:
223.228g/mol
XLogP3:
-2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
223.084g/mol
Monoisotopic Mass:
223.084g/mol
Topological Polar Surface Area:
89.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
248
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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