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88439-14-9 | Aspartic acid, N-(trifluoroacetyl)-, 1-(2,2-dimethylpropyl) ester
CAS No: 88439-14-9 Catalog No: AG004JYZ MDL No:
Product Description
Catalog Number:
AG004JYZ
Chemical Name:
Aspartic acid, N-(trifluoroacetyl)-, 1-(2,2-dimethylpropyl) ester
CAS Number:
88439-14-9
Molecular Formula:
C11H15F3NO5-
Molecular Weight:
298.2357
IUPAC Name:
4-(2,2-dimethylpropoxy)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoate
InChI:
InChI=1S/C11H16F3NO5/c1-10(2,3)5-20-8(18)6(4-7(16)17)15-9(19)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,19)(H,16,17)/p-1
InChI Key:
ANSVOXPHVABQTJ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C[C@@H](C(=O)OCC(C)(C)C)NC(=O)C(F)(F)F
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.09g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.238g/mol
Monoisotopic Mass:
298.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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