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88438-86-2 | Aspartic acid, N-(trifluoroacetyl)-, 1-(2-methylpropyl) ester
CAS No: 88438-86-2 Catalog No: AG004JZ0 MDL No:
Product Description
Catalog Number:
AG004JZ0
Chemical Name:
Aspartic acid, N-(trifluoroacetyl)-, 1-(2-methylpropyl) ester
CAS Number:
88438-86-2
Molecular Formula:
C10H13F3NO5-
Molecular Weight:
284.2091
IUPAC Name:
4-(2-methylpropoxy)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoate
InChI:
InChI=1S/C10H14F3NO5/c1-5(2)4-19-8(17)6(3-7(15)16)14-9(18)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,18)(H,15,16)/p-1
InChI Key:
JZYPVENLJYMYRS-UHFFFAOYSA-M
SMILES:
CC(COC(=O)[C@@H](NC(=O)C(F)(F)F)CC(=O)[O-])C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.075g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.211g/mol
Monoisotopic Mass:
284.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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