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88438-99-7 | Glutamic acid, N-(trifluoroacetyl)-, 1-butyl ester
CAS No: 88438-99-7 Catalog No: AG004HCD MDL No:
Product Description
Catalog Number:
AG004HCD
Chemical Name:
Glutamic acid, N-(trifluoroacetyl)-, 1-butyl ester
CAS Number:
88438-99-7
Molecular Formula:
C11H15F3NO5-
Molecular Weight:
298.2357
IUPAC Name:
5-butoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
InChI:
InChI=1S/C11H16F3NO5/c1-2-3-6-20-9(18)7(4-5-8(16)17)15-10(19)11(12,13)14/h7H,2-6H2,1H3,(H,15,19)(H,16,17)/p-1
InChI Key:
UWNCRJYXLMLEKK-UHFFFAOYSA-M
SMILES:
CCCCOC(=O)[C@@H](NC(=O)C(F)(F)F)CCC(=O)[O-]
Properties
Complexity:
351
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:
8
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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