D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester


Chemical Name: D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester
CAS Number: 71449-08-6
Product Number: AG00IC63(AGN-PC-0TYXG5)
Synonyms:
MDL No:
Molecular Formula: C16H21NO6
Molecular Weight: 323.3410

Identification/Properties


Computed Properties
Molecular Weight:
323.345g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
323.137g/mol
Monoisotopic Mass:
323.137g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
423
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#:
-
Hazard Statements:
H315-H317-H319-H335
Precautionary Statements:
P261-P264-P271-P272-P280P-P302+P352-P304+P340+P312-P305+P351+P338-P333+P313-P337+P313-P362+P364-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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